LMPK03000037 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 21.7599 6.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7613 6.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0710 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2606 8.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4507 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9381 8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8053 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6724 8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5395 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4070 8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2742 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1413 8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0085 7.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8756 8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 7.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 7.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7286 6.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6435 6.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0892 8.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8516 5.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7433 7.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7014 7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2440 7.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3762 7.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5083 7.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6405 7.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7726 7.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 7.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 7.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1692 7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3013 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6107 8.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4779 7.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3452 8.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2123 7.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4796 8.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3196 7.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0603 6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0603 6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0368 6.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1113 7.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9785 7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9562 6.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6724 9.0090 0.0000 O 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 6 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 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 16 19 1 1 0 0 18 20 2 0 0 0 14 21 1 0 0 0 23 24 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 15 2 0 0 0 18 31 1 0 0 0 21 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 22 36 1 1 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 22 1 0 0 0 37 5 1 0 0 0 37 36 1 6 0 0 29 40 1 1 0 0 23 41 1 0 0 0 41 42 1 0 0 0 42 22 1 0 0 0 42 43 1 1 0 0 8 44 1 1 0 0 M END > LMPK03000037 > Annopurpuricin B > > C37H66O7 > 622.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > HVGXLTIZNHGPRU-DWYPGFRASA-N > InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-11-14-17-30(38)20-21-32-22-23-35(43-32)36-25-24-34(44-36)33(40)19-16-13-10-12-15-18-31(39)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30-,31+,32+,33-,34-,35-,36-/m0/s1 > C1[C@@H]([C@H]2O[C@H]([C@@H](O)CCCCCCC[C@@H](O)CC3C(=O)O[C@@H](C)C=3)CC2)O[C@H](CC[C@@H](O)CCCCCCCCCCC)C1 > - > - > - > - > - > - > 171119273 > - > - > - > - > - > 1123437 > 31014011 $$$$