LMST01010517 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 10.1357 9.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9831 8.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2840 8.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 10.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 9.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8307 9.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9831 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4323 9.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9998 10.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4615 10.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8432 10.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5255 9.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8222 8.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4323 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 8.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6990 10.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 11.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 10.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9314 6.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 6.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 11.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3897 10.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 7.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 12.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 12.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6907 12.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3897 11.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5338 13.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2372 12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0846 11.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 9.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8949 8.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2551 10.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9475 12.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0891 10.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9412 11.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7977 10.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6542 11.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7977 9.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 8.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 6 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 1 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 20 25 1 6 0 0 0 21 26 1 1 0 0 0 24 27 1 0 0 0 0 24 28 1 6 0 0 0 24 29 1 1 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 8 15 1 0 0 0 0 10 12 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 2 34 1 1 0 0 0 3 35 1 6 0 0 0 18 36 1 6 0 0 0 33 37 1 0 0 0 33 38 1 0 0 0 33 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 40 42 2 0 0 0 8 43 1 1 0 0 5 43 1 0 0 0 0 M END > LMST01010517 > Cucurbitacin C7 > 25-acetyloxy-3beta,16alpha,20beta-trihydroxy-5beta,19beta-epoxy-cucurbit-6,23-dien-11,22-dione > C32H46O8 > 558.32 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > CRSGRBLTDYTSEN-GRMLNWAXSA-N > InChI=1S/C32H46O8/c1-18(33)40-26(2,3)13-12-23(36)30(8,38)25-19(34)15-28(6)20-11-14-32-21(9-10-22(35)27(32,4)5)31(20,17-39-32)24(37)16-29(25,28)7/h11-14,19-22,25,34-35,38H,9-10,15-17H2,1-8H3/b13-12+/t19-,20+,21+,22+,25+,28+,29-,30+,31-,32-/m1/s1 > [C@@]123CO[C@@]4(C=C[C@@]1([H])[C@]1(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C)[C@]1(CC2=O)C)O)C(C)(C)[C@H](CC[C@@]34[H])O > - > - > - > ST 32:6;O8 > - > - > 171119978 > - > - > - > - > - > 3659 > 35182783 $$$$