LMST01010587 LIPID_MAPS_STRUCTURE_DATABASE 41 44 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 18.0939 10.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9599 11.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0939 9.5989 0.0000 C 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 38 39 1 0 0 0 39 40 2 0 0 0 39 41 1 0 0 0 M END > LMST01010587 > Integristerone A 25-acetate > 25-acetoxy-1beta,2beta,3beta,14alpha,20,22R-hexahydroxy-5beta-cholest-7-en-6-one > C29H46O9 > 538.31 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > QMXDANIONYZQEX-NAIDWPAJSA-N > InChI=1S/C29H46O9/c1-15(30)38-25(2,3)10-9-22(33)28(6,36)21-8-12-29(37)17-13-19(31)18-14-20(32)23(34)24(35)27(18,5)16(17)7-11-26(21,29)4/h13,16,18,20-24,32-37H,7-12,14H2,1-6H3/t16-,18-,20+,21-,22+,23+,24+,26+,27+,28+,29+/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(OC(C)=O)(C)C)[H])=O > - > - > - > ST 29:3;O9 > - > - > 21592302 > - > - > - > - > - > 1937749 > - $$$$