LMPK03000036 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 21.6819 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6797 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9882 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1808 8.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3738 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8522 7.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7163 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5803 7.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4443 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3086 7.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1727 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0367 7.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9008 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7648 7.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8522 8.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4318 7.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3273 6.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2389 6.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 8.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4463 5.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6294 7.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6344 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8122 6.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9475 7.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0827 6.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2181 7.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3533 6.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4885 7.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6237 6.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7591 7.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8943 6.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4936 7.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3577 7.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2219 7.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0859 7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4098 8.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2467 7.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9884 6.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9920 6.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3532 5.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1727 6.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9501 7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8161 7.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 1 0 0 5 4 1 1 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 6 15 1 6 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 17 20 1 1 0 0 19 21 2 0 0 0 14 22 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 16 2 0 0 0 19 32 1 0 0 0 24 23 1 0 0 0 22 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 23 37 1 1 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 23 1 0 0 0 38 5 1 0 0 0 38 37 1 6 0 0 28 41 1 1 0 0 11 42 1 6 0 0 36 43 1 0 0 0 43 44 1 0 0 0 M END > LMPK03000036 > Annopurpuricin A > > C37H66O7 > 622.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > YMUJOYOJGIFJDL-WWGJDHMTSA-N > InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-17-30(38)19-12-14-22-33(40)34-25-26-36(44-34)35-24-23-32(43-35)21-13-11-18-31(39)20-15-16-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+,35-,36-/m0/s1 > C1[C@@H]([C@H]2O[C@@H](CC2)CCCC[C@@H](O)CCCC2C(=O)O[C@@H](C)C=2)O[C@@H]([C@H](O)CCCC[C@@H](O)CCCCCCCCCC)C1 > - > - > - > - > - > - > 171119272 > - > - > - > - > - > 1123437 > 31014011 $$$$