LMST01010623 LIPID_MAPS_STRUCTURE_DATABASE 36 39 0 0 0 999 V2000 15.8492 5.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9788 5.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8323 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 5.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 6.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9871 3.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8450 7.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 4.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2546 5.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1082 6.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 2.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2546 3.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4053 5.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4053 4.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 4.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1082 3.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6955 5.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2855 6.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7519 6.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7519 7.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7476 5.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7476 4.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5610 7.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7022 6.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4308 7.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2951 8.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7022 7.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8379 8.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5665 8.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0237 8.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1594 6.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1594 7.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0237 7.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8336 8.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7022 8.8719 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 5 1 0 0 0 0 2 16 1 6 0 0 0 3 6 1 0 0 0 0 20 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 1 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 1 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 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 28 1 0 0 0 0 28 30 1 0 0 0 0 30 26 1 0 0 0 0 26 27 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 6 0 0 0 33 31 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 7 35 1 1 0 0 28 36 1 1 0 0 M END > LMST01010623 > > 3alpha,12beta,14alpha,20S,25-pentahydroxy-5beta-cholest-7-en-6-one > C27H44O6 > 464.31 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > DQDGVCJBZFOCSZ-XZXCFXDYSA-N > InChI=1S/C27H44O6/c1-23(2,31)9-6-10-25(4,32)21-8-12-27(33)18-14-20(29)19-13-16(28)7-11-24(19,3)17(18)15-22(30)26(21,27)5/h14,16-17,19,21-22,28,30-33H,6-13,15H2,1-5H3/t16-,17+,19+,21-,22-,24-,25+,26+,27-/m1/s1 > C12=CC([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)CCCC(O)(C)C)[H])=O > - > - > - > ST 27:2;O6 > - > - > - > - > - > - > - > - > 171896 > 39260588 $$$$