LMST01120036 LIPID_MAPS_STRUCTURE_DATABASE 44 49 0 0 0 999 V2000 12.8792 -13.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2278 -14.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 -13.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9866 -11.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8955 -12.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9758 -13.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1474 -13.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2439 -13.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1637 -12.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2604 -11.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7707 -11.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4028 -15.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9582 -14.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5066 -9.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3744 -10.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3744 -11.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5066 -11.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6387 -11.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6387 -10.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2424 -9.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1104 -10.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1104 -11.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2424 -11.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2423 -8.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1103 -8.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 -8.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 -9.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8461 -8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7140 -8.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7141 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8461 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 -10.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3508 -9.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9660 -7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1104 -9.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3623 -11.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2438 -10.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0353 -6.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3449 -5.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3471 -5.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6568 -6.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9362 -4.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4785 -8.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8120 -7.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 4 1 0 0 0 4 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 1 0 0 6 1 1 6 0 0 7 2 1 1 0 0 8 3 1 6 0 0 5 11 1 1 0 0 2 12 1 0 0 0 1 13 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 15 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 16 1 0 0 0 20 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 21 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 28 31 1 0 0 0 18 11 1 1 0 0 27 32 1 1 0 0 15 33 1 1 0 0 26 34 1 1 0 0 21 35 1 1 0 0 16 36 1 1 0 0 20 37 1 6 0 0 31 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 31 2 0 0 0 40 42 2 0 0 0 27 30 1 0 0 0 33 43 2 0 0 0 28 44 1 6 0 0 M END > LMST01120036 > Mansonin > 3beta-O-(d-2,3-O-dimethyl-quinovosyl)-5beta,14beta-dihydroxy-19-oxo-card-20(22)-enolide > C31H46O10 > 578.31 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > BGGIZHKHJBQRTI-VTYGAKHASA-N > InChI=1S/C31H46O10/c1-17-24(34)25(37-3)26(38-4)27(40-17)41-19-5-10-29(16-32)21-6-9-28(2)20(18-13-23(33)39-15-18)8-12-31(28,36)22(21)7-11-30(29,35)14-19/h13,16-17,19-22,24-27,34-36H,5-12,14-15H2,1-4H3/t17-,19+,20-,21+,22-,24-,25+,26-,27+,28-,29+,30+,31+/m1/s1 > O(C)[C@@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@H]1O[C@H]1CC[C@]2(C=O)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=CC(=O)OC5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1 > - > - > - > - > - > - > 15560101 > - > - > - > - > - > 648879 > 4093781 $$$$