LMPK03000051 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 999 V2000 -17.7486 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6231 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8674 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4932 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2217 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1283 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3946 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.7294 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.6848 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.6848 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.7294 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.4189 -2.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.4975 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2773 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1339 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0018 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1361 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2706 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4050 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5394 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6738 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8082 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8652 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8671 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6083 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4467 -0.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2706 0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9426 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2114 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 1 0 0 0 2 4 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 14 15 1 6 0 0 5 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 20 24 2 0 0 0 22 25 1 1 0 0 4 19 1 0 0 0 19 26 1 0 0 0 26 27 1 0 0 0 23 27 2 0 0 0 27 20 1 0 0 0 13 14 1 0 0 0 3 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 33 1 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 14 37 1 0 0 0 30 39 1 0 0 0 34 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 1 1 0 0 42 38 1 6 0 0 42 35 1 0 0 0 M END > LMPK03000051 > Squafosacin C > > C37H68O6 > 608.50 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > FFYADDYFFJTVSC-URCADZRVSA-N > InChI=1S/C37H68O6/c1-3-4-5-6-7-8-9-10-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-12-11-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32?,33+,34+,35+,36+/m0/s1 > C(CCCC(O)CCCCC[C@@H](O)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O)O1)CCCCC1C(=O)O[C@@H](C)C=1 > - > - > - > - > - > - > 171121146 > - > - > - > - > - > 301693 > 18419154 $$$$