LMST01010533 LIPID_MAPS_STRUCTURE_DATABASE 38 41 0 0 0 999 V2000 11.0532 8.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1830 9.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0363 7.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 8.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1915 7.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0490 10.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 7.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 9.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 9.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 6.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 7.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 8.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 7.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7357 9.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 7.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 8.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 6.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8990 8.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4888 9.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9556 10.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9556 11.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9513 9.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9513 8.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7642 11.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9057 10.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6338 11.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7698 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7698 13.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2260 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3619 10.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3619 11.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 10.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9057 11.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9057 12.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4979 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4562 10.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2279 11.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 2 16 1 6 0 0 0 3 5 1 0 0 0 0 20 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 33 6 1 0 0 0 0 5 10 2 0 0 0 0 5 7 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 1 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 1 0 0 0 12 13 1 0 0 0 0 13 15 1 1 0 0 0 25 20 1 0 0 0 0 20 22 1 0 0 0 0 22 18 1 0 0 0 0 25 19 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 1 0 0 0 22 23 1 6 0 0 0 25 24 1 6 0 0 0 25 34 1 0 0 0 0 34 28 1 0 0 0 0 28 26 1 0 0 0 0 26 36 1 0 0 0 0 36 32 1 0 0 0 0 34 27 1 6 0 0 0 28 29 1 6 0 0 0 32 30 1 0 0 0 0 32 31 1 0 0 0 0 34 35 1 0 0 0 0 8 37 1 1 0 0 32 38 1 0 0 0 M END > LMST01010533 > Integristerone A > 1beta,2beta,3beta,14alpha,20,22R,25-heptahydroxy-5beta-cholest-7-en-6-one > C27H44O8 > 496.30 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > VJRBXZFHKYDEQV-KPHYXMJDSA-N > InChI=1S/C27H44O8/c1-23(2,33)9-8-20(30)26(5,34)19-7-11-27(35)15-12-17(28)16-13-18(29)21(31)22(32)25(16,4)14(15)6-10-24(19,27)3/h12,14,16,18-22,29-35H,6-11,13H2,1-5H3/t14-,16-,18+,19-,20+,21+,22+,24+,25+,26+,27+/m0/s1 > C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)[C@@H](O)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)CCC(O)(C)C)[H])=O > - > - > - > ST 27:2;O8 > - > - > 16038795 > - > - > - > - > - > 362636 > - $$$$