LMPK03000012 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 24.3389 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3392 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6484 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8390 9.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0298 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7338 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7341 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0433 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2340 9.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4248 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5147 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3810 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2473 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1135 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9799 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8463 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7125 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5788 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4452 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3115 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1778 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5147 10.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5584 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6921 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8257 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9595 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0932 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2268 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3606 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4942 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6280 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0289 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2964 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5584 10.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9869 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7963 7.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0356 7.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5568 7.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9799 10.3753 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 5 4 1 6 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 6 0 0 0 10 6 1 0 0 0 0 8 5 1 0 0 0 0 3 11 1 0 0 0 0 11 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 16 17 1 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 11 22 1 1 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 31 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 23 37 1 1 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 41 43 2 0 0 0 0 15 44 1 1 0 0 0 3 4 1 1 0 0 0 M END > LMPK03000012 > Squamocin > > C37H66O7 > 622.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > > - > > DAEFUOXKPZLQMM-KEOPWTRKSA-N > InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(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]([C@H](O)CCCCCCCCCCCCC3C(=O)OC(C)C=3)CC2)O[C@@H]([C@@H](O)CCC[C@@H](O)CCCCCC)C1 > - > - > - > - > - > - > 178335755 > - > - > - > - > - > 301693 > 8037664 $$$$