LMST01010103 LIPID_MAPS_STRUCTURE_DATABASE 44 47 0 0 0 0 0 0 0 0999 V2000 8.3749 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 7.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6681 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3818 8.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 7.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7748 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 6.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 6.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9681 7.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0853 8.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3749 9.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 8.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7817 8.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1713 7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 5.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9681 5.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4886 8.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7783 9.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1816 8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 6.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3647 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4817 9.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8851 8.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 5.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 9.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7783 9.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4783 10.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8851 9.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 10.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 9.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2884 9.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2850 8.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 9.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9919 9.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2815 7.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9815 7.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5712 7.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 7.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9509 6.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1989 9.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 6 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 1 0 0 0 14 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 1 0 0 0 19 26 1 0 0 0 0 21 27 1 6 0 0 0 22 28 2 0 0 0 0 26 29 1 0 0 0 0 26 30 1 6 0 0 0 26 31 1 1 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 32 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 8 16 2 0 0 0 0 10 13 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 2 42 1 1 0 0 0 3 43 1 6 0 0 0 19 44 1 6 0 0 0 M END > LMST01010103 > Cucurbitacin A > > C32H46O9 > 574.31 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > IHTCCHVMPGDDSL-IVNGUWCNSA-N > InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1 > [C@@]12(CO)C(=O)C[C@]3(C)[C@]([H])([C@H](O)C[C@@]3(C)[C@]1([H])CC=C1C(C)(C)C([C@@H](O)C[C@@]21[H])=O)[C@](O)(C)C(=O)/C=C/C(C)(C)OC(=O)C > C08793 > - > 3940 > ST 32:6;O9 > - > - > 5281315 > - > - > - > - > - > - > - $$$$