LMPK03000029 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 21.2344 9.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2367 9.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5468 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7354 8.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4146 8.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2827 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1508 8.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0188 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8871 8.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7552 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6232 8.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4914 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3595 8.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4146 7.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2281 9.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1272 8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9067 9.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7481 8.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4885 7.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4866 7.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6094 9.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4726 8.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3468 9.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2101 8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6203 10.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0842 9.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1993 7.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3251 8.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4708 8.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5913 8.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7337 8.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 8.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9966 7.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1171 8.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 7.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 8.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 9.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8555 9.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 8.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 7.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1105 9.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2012 8.1124 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 3 5 1 0 0 0 5 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 5 14 1 1 0 0 13 15 1 0 0 0 16 17 1 1 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 16 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 21 25 1 1 0 0 24 26 1 0 0 0 24 27 1 1 0 0 26 1 1 0 0 0 26 4 1 6 0 0 18 17 1 6 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 36 1 0 0 0 38 41 1 1 0 0 40 42 2 0 0 0 28 43 1 0 0 0 43 16 1 0 0 0 M END > LMPK03000029 > Squamostatin D > > C36H64O7 > 608.47 > Polyketides [PK] > Annonaceae acetogenins [PK03] > > - > > WQZQTAFMUZJWFN-KCTXJUDOSA-N > InChI=1S/C36H64O7/c1-3-4-5-6-8-13-16-19-30(37)34-24-25-35(43-34)32(39)22-21-31(38)33-23-20-29(42-33)18-15-12-10-7-9-11-14-17-28-26-27(2)41-36(28)40/h26-27,29-35,37-39H,3-25H2,1-2H3/t27-,29+,30+,31-,32-,33-,34-,35-/m0/s1 > C1[C@H](O[C@H]([C@H](O)CCCCCCCCC)C1)[C@@H](O)CC[C@H](O)[C@H]1O[C@H](CCCCCCCCCC2C(=O)O[C@@H](C)C=2)CC1 > - > - > - > - > - > - > 171121161 > - > - > - > - > - > 301693 > 26181648 $$$$