LMST01010624 LIPID_MAPS_STRUCTURE_DATABASE 37 40 0 0 0 999 V2000 15.8485 5.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9781 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8316 4.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1160 5.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9696 6.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9864 3.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8443 7.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1160 4.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2540 5.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1075 6.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9696 2.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2540 3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4047 5.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4047 4.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5258 3.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9696 4.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1075 3.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6947 5.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2846 6.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7511 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7511 7.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7468 5.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7468 4.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5601 7.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 6.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4299 7.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2942 8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 7.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8371 8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5656 8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0227 8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1584 6.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1584 7.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0227 7.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8329 8.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 8.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5656 9.3706 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 2 0 0 0 28 36 1 1 0 0 30 37 1 6 0 0 M END > LMST01010624 > > 3alpha,14alpha,20R,22R,25-pentahydroxy-5β-cholest-7-ene-6,12-dione > C27H42O7 > 478.29 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > VDKDAMDYFMHXPX-XHMGLUPHSA-N > InChI=1S/C27H42O7/c1-23(2,32)9-8-21(30)26(5,33)20-7-11-27(34)17-13-19(29)18-12-15(28)6-10-24(18,3)16(17)14-22(31)25(20,27)4/h13,15-16,18,20-21,28,30,32-34H,6-12,14H2,1-5H3/t15-,16+,18+,20+,21-,24-,25+,26-,27-/m1/s1 > C12=CC([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC(=O)[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)CCC(O)(C)C)[H])=O > - > - > - > ST 27:3;O7 > - > - > 178334218 > - > - > - > - > - > 171896 > 39260588 $$$$