LMSP0601GD07 LIPID_MAPS_STRUCTURE_DATABASE 329348 0 0 0 999 V2000 57.8659 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.9034 17.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9404 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4226 16.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.3093 16.2968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.8291 17.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3008 15.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3008 14.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.3383 16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4273 18.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3665 18.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.3684 15.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3979 16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4275 15.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4572 16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4869 15.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9696 17.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9990 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0286 17.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0583 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0877 17.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1176 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1471 17.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1765 17.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4869 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1765 16.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.1132 15.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0500 16.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9867 15.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9232 16.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8602 15.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4329 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.3787 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3248 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2709 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2169 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1628 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1088 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0549 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0010 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9468 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8929 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8389 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7850 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7308 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6769 14.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6230 13.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7475 23.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.7475 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2474 22.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2475 22.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7475 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2475 24.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8404 24.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.7474 21.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.5403 21.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7475 23.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2475 24.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.2475 25.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7475 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.2474 22.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2475 22.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7475 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2475 24.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8404 24.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7474 21.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5403 21.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.7475 23.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.2475 24.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2475 25.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5403 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0402 20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0403 20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5403 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0403 22.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6332 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5403 19.8915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.3331 20.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.5403 21.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0403 22.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.0403 23.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.8831 19.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6241 18.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0331 19.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5403 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0402 20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0403 20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5403 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0403 22.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6332 23.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5402 19.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3331 20.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5403 21.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0403 22.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0403 23.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3331 20.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8330 19.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8331 19.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3331 20.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8331 20.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4261 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3331 18.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.1259 18.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3331 20.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8331 20.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8331 22.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6759 17.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4169 17.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8259 17.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3331 20.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8331 19.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8331 19.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3331 20.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8331 20.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4261 21.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3331 18.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1259 18.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3331 20.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8331 20.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8331 22.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1259 18.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1259 17.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2386 16.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3513 17.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3513 18.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4645 18.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5777 18.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6910 18.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3321 19.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1424 19.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8128 19.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2386 15.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4638 16.9403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.4645 20.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5777 17.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8043 18.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2386 18.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3513 19.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4638 16.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7727 15.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2798 15.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0403 24.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1690 24.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3084 24.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3188 25.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1900 26.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1996 26.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1586 23.0629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.3397 24.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4581 26.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0508 25.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.9099 27.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2839 22.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6290 22.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5650 23.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4752 26.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9751 25.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9752 25.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4752 26.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9752 26.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5681 27.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4751 24.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2680 24.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4752 26.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9752 26.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9752 28.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2680 24.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7679 23.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7680 23.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2680 24.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7680 25.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3609 26.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2680 22.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.0608 22.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2680 24.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7680 25.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7680 26.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2680 24.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7679 23.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7680 23.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2680 24.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7680 25.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3609 26.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2679 22.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0608 22.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2680 24.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7680 25.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7680 26.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0608 22.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0608 21.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1734 21.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2861 21.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2861 22.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3994 23.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5126 22.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6259 23.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2670 23.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0772 23.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7477 24.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1734 20.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3987 21.4075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3994 24.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5126 21.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7392 22.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1734 23.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2861 23.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3987 20.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7076 20.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2147 20.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9752 29.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1039 28.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2433 29.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2537 30.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1249 30.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1345 31.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0935 27.5301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.2746 28.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3930 30.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9857 30.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8448 31.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2188 27.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5639 26.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4999 27.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8306 22.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2368 22.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6744 21.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3960 30.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8959 29.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8960 29.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3960 30.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8960 31.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4889 32.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3959 28.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1888 28.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3960 30.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8960 31.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8960 32.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1888 28.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6887 28.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6888 28.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1888 28.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6888 29.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2817 30.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1888 27.2647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9816 27.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1888 28.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6888 29.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6888 31.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1888 28.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6887 28.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6888 28.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1888 28.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6888 29.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2817 30.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1887 27.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9816 27.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1888 28.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6888 29.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6888 31.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9816 27.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9816 26.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0942 25.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2069 26.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2069 27.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3202 27.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4334 27.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5467 27.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1878 28.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9980 28.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6685 28.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0942 24.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3195 25.8866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3202 28.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4334 26.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6600 27.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0942 27.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2069 28.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3195 24.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6284 24.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1355 24.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8960 33.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0247 33.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1641 33.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1745 34.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0457 35.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0553 35.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0143 32.0092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1954 33.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3138 35.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9065 34.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7656 36.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1396 31.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4847 30.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4207 32.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8479 26.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2541 26.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6917 25.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2591 34.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7590 34.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7591 34.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2591 34.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7591 35.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3520 36.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2590 33.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0519 33.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2591 34.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7591 35.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7591 37.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0519 33.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0519 32.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1645 31.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2772 32.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2772 33.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3905 33.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5037 33.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6170 33.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2581 33.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0683 34.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7388 34.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1645 30.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3898 31.8018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3905 34.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5037 32.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7303 33.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1645 33.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2772 34.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3898 30.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6987 30.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2058 30.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 49 50 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 53 58 1 0 0 0 49 58 1 0 0 0 50 55 1 6 0 0 51 56 1 1 0 0 52 57 1 6 0 0 54 59 1 0 0 0 49 48 1 1 0 0 60 61 1 0 0 0 62 61 1 0 0 0 63 62 1 0 0 0 63 64 1 0 0 0 64 65 1 1 0 0 64 69 1 0 0 0 60 69 1 0 0 0 61 66 1 6 0 0 62 67 1 1 0 0 63 68 1 1 0 0 65 70 1 0 0 0 60 57 1 1 0 0 71 72 1 0 0 0 73 72 1 0 0 0 74 73 1 0 0 0 74 75 1 0 0 0 75 76 1 1 0 0 75 80 1 0 0 0 71 80 1 0 0 0 72 77 1 6 0 0 73 78 1 1 0 0 74 79 1 6 0 0 76 81 1 0 0 0 77 82 1 0 0 0 82 83 1 0 0 0 82 84 2 0 0 0 71 67 1 1 0 0 85 86 1 0 0 0 87 86 1 0 0 0 88 87 1 0 0 0 88 89 1 0 0 0 89 90 1 1 0 0 89 94 1 0 0 0 85 94 1 0 0 0 86 91 1 6 0 0 87 92 1 1 0 0 88 93 1 1 0 0 90 95 1 0 0 0 85 79 1 1 0 0 96 97 1 0 0 0 98 97 1 0 0 0 99 98 1 0 0 0 99100 1 0 0 0 100101 1 1 0 0 100105 1 0 0 0 96105 1 0 0 0 97102 1 6 0 0 98103 1 1 0 0 99104 1 6 0 0 101106 1 0 0 0 102107 1 0 0 0 107108 1 0 0 0 107109 2 0 0 0 96 92 1 6 0 0 110111 1 0 0 0 112111 1 0 0 0 113112 1 0 0 0 113114 1 0 0 0 114115 1 1 0 0 114119 1 0 0 0 110119 1 0 0 0 111116 1 6 0 0 112117 1 1 0 0 113118 1 1 0 0 115120 1 0 0 0 110104 1 1 0 0 129130 2 0 0 0 129131 1 0 0 0 121129 1 1 0 0 122121 1 0 0 0 122123 1 0 0 0 121137 1 0 0 0 123124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 125137 1 0 0 0 126127 1 0 0 0 127128 1 0 0 0 123132 1 6 0 0 124133 1 1 0 0 126134 1 1 0 0 127135 1 6 0 0 128136 1 0 0 0 125138 1 1 0 0 133139 1 0 0 0 139140 1 0 0 0 139141 2 0 0 0 121117 1 6 0 0 142143 1 0 0 0 144143 1 0 0 0 145144 1 0 0 0 145146 1 0 0 0 146147 1 1 0 0 146151 1 0 0 0 142151 1 0 0 0 143148 1 6 0 0 144149 1 1 0 0 145150 1 6 0 0 147152 1 0 0 0 148153 1 0 0 0 153154 1 0 0 0 153155 2 0 0 0 142 95 1 1 0 0 156157 1 0 0 0 158157 1 0 0 0 159158 1 0 0 0 159160 1 0 0 0 160161 1 1 0 0 160165 1 0 0 0 156165 1 0 0 0 157162 1 6 0 0 158163 1 1 0 0 159164 1 1 0 0 161166 1 0 0 0 167168 1 0 0 0 169168 1 0 0 0 170169 1 0 0 0 170171 1 0 0 0 171172 1 1 0 0 171176 1 0 0 0 167176 1 0 0 0 168173 1 6 0 0 169174 1 1 0 0 170175 1 6 0 0 172177 1 0 0 0 167163 1 6 0 0 178179 1 0 0 0 180179 1 0 0 0 181180 1 0 0 0 181182 1 0 0 0 182183 1 1 0 0 182187 1 0 0 0 178187 1 0 0 0 179184 1 6 0 0 180185 1 1 0 0 181186 1 1 0 0 183188 1 0 0 0 178175 1 1 0 0 197198 2 0 0 0 197199 1 0 0 0 189197 1 1 0 0 190189 1 0 0 0 190191 1 0 0 0 189205 1 0 0 0 191192 1 0 0 0 192193 1 0 0 0 193194 1 0 0 0 193205 1 0 0 0 194195 1 0 0 0 195196 1 0 0 0 191200 1 6 0 0 192201 1 1 0 0 194202 1 1 0 0 195203 1 6 0 0 196204 1 0 0 0 193206 1 1 0 0 201207 1 0 0 0 207208 1 0 0 0 207209 2 0 0 0 189185 1 6 0 0 210211 1 0 0 0 212211 1 0 0 0 213212 1 0 0 0 213214 1 0 0 0 214215 1 1 0 0 214219 1 0 0 0 210219 1 0 0 0 211216 1 6 0 0 212217 1 1 0 0 213218 1 6 0 0 215220 1 0 0 0 216221 1 0 0 0 221222 1 0 0 0 221223 2 0 0 0 210166 1 1 0 0 156150 1 1 0 0 173224 1 0 0 0 224225 1 0 0 0 224226 2 0 0 0 227228 1 0 0 0 229228 1 0 0 0 230229 1 0 0 0 230231 1 0 0 0 231232 1 1 0 0 231236 1 0 0 0 227236 1 0 0 0 228233 1 6 0 0 229234 1 1 0 0 230235 1 1 0 0 232237 1 0 0 0 238239 1 0 0 0 240239 1 0 0 0 241240 1 0 0 0 241242 1 0 0 0 242243 1 1 0 0 242247 1 0 0 0 238247 1 0 0 0 239244 1 6 0 0 240245 1 1 0 0 241246 1 6 0 0 243248 1 0 0 0 238234 1 6 0 0 249250 1 0 0 0 251250 1 0 0 0 252251 1 0 0 0 252253 1 0 0 0 253254 1 1 0 0 253258 1 0 0 0 249258 1 0 0 0 250255 1 6 0 0 251256 1 1 0 0 252257 1 1 0 0 254259 1 0 0 0 249246 1 1 0 0 268269 2 0 0 0 268270 1 0 0 0 260268 1 1 0 0 261260 1 0 0 0 261262 1 0 0 0 260276 1 0 0 0 262263 1 0 0 0 263264 1 0 0 0 264265 1 0 0 0 264276 1 0 0 0 265266 1 0 0 0 266267 1 0 0 0 262271 1 6 0 0 263272 1 1 0 0 265273 1 1 0 0 266274 1 6 0 0 267275 1 0 0 0 264277 1 1 0 0 272278 1 0 0 0 278279 1 0 0 0 278280 2 0 0 0 260256 1 6 0 0 281282 1 0 0 0 283282 1 0 0 0 284283 1 0 0 0 284285 1 0 0 0 285286 1 1 0 0 285290 1 0 0 0 281290 1 0 0 0 282287 1 6 0 0 283288 1 1 0 0 284289 1 6 0 0 286291 1 0 0 0 287292 1 0 0 0 292293 1 0 0 0 292294 2 0 0 0 281237 1 1 0 0 227218 1 1 0 0 295296 1 0 0 0 295297 2 0 0 0 244295 1 0 0 0 298299 1 0 0 0 300299 1 0 0 0 301300 1 0 0 0 301302 1 0 0 0 302303 1 1 0 0 302307 1 0 0 0 298307 1 0 0 0 299304 1 6 0 0 300305 1 1 0 0 301306 1 1 0 0 303308 1 0 0 0 317318 2 0 0 0 317319 1 0 0 0 309317 1 1 0 0 310309 1 0 0 0 310311 1 0 0 0 309325 1 0 0 0 311312 1 0 0 0 312313 1 0 0 0 313314 1 0 0 0 313325 1 0 0 0 314315 1 0 0 0 315316 1 0 0 0 311320 1 6 0 0 312321 1 1 0 0 314322 1 1 0 0 315323 1 6 0 0 316324 1 0 0 0 313326 1 1 0 0 321327 1 0 0 0 327328 1 0 0 0 327329 2 0 0 0 309305 1 6 0 0 298289 1 1 0 0 6 48 1 0 0 0 0 M END > LMSP0601GD07 > > NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C196H330N12O115 > 4692.03 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > PPLUIGCZJRBXDU-RMWJDZSRSA-N > InChI=1S/C196H330N12O115/c1-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-112(246)208-86(87(237)48-46-44-42-40-38-36-27-25-23-21-19-17-15-2)71-284-180-144(267)143(266)160(108(70-225)300-180)311-181-145(268)165(128(251)96(58-213)288-181)312-176-120(204-82(10)233)139(262)156(104(66-221)296-176)306-184-148(271)168(315-179-123(207-85(13)236)142(265)159(107(69-224)299-179)310-188-152(275)172(132(255)100(62-217)292-188)323-196(192(282)283)53-91(241)116(200-78(6)229)164(319-196)127(250)95(245)57-212)135(258)111(303-184)74-286-174-118(202-80(8)231)137(260)154(102(64-219)294-174)304-182-146(269)166(313-177-121(205-83(11)234)140(263)157(105(67-222)297-177)308-186-150(273)170(130(253)98(60-215)290-186)321-194(190(278)279)51-89(239)114(198-76(4)227)162(317-194)125(248)93(243)55-210)133(256)109(301-182)72-285-173-117(201-79(7)230)136(259)153(101(63-218)293-173)305-183-147(270)167(314-178-122(206-84(12)235)141(264)158(106(68-223)298-178)309-187-151(274)171(131(254)99(61-216)291-187)322-195(191(280)281)52-90(240)115(199-77(5)228)163(318-195)126(249)94(244)56-211)134(257)110(302-183)73-287-175-119(203-81(9)232)138(261)155(103(65-220)295-175)307-185-149(272)169(129(252)97(59-214)289-185)320-193(189(276)277)50-88(238)113(197-75(3)226)161(316-193)124(247)92(242)54-209/h28-29,46,48,86-111,113-188,209-225,237-245,247-275H,14-27,30-45,47,49-74H2,1-13H3,(H,197,226)(H,198,227)(H,199,228)(H,200,229)(H,201,230)(H,202,231)(H,203,232)(H,204,233)(H,205,234)(H,206,235)(H,207,236)(H,208,246)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/b29-28-,48-46+/t86-,87+,88-,89-,90-,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130-,131-,132-,133-,134-,135-,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165-,166-,167-,168-,169-,170-,171-,172-,173+,174+,175+,176-,177+,178+,179+,180+,181-,182-,183-,184-,185-,186-,187-,188-,193-,194-,195-,196-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C%11)C(O)=O)[C@H]%10O)[C@H](O)[C@H]9NC(=O)C)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C%11)C(O)=O)[C@H]%10O)[C@H](O)[C@H]9NC(=O)C)[C@H]8O)[C@H](O)[C@H]7NC(=O)C)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@]9(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C9)C(O)=O)[C@H]8O)[C@H](O)[C@H]7NC(=O)C)[C@H]6O)[C@H](O)[C@H]5NC(=O)C)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C7)C(O)=O)[C@H]6O)[C@H](O)[C@H]5NC(=O)C)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(9)-HexNAc(7)-NeuAc(4)-Cer 42:2;O2 > - > - > 44263162 > - > - > - > - > - > - > - $$$$