LMST01090006 LIPID_MAPS_STRUCTURE_DATABASE 41 48 0 0 0 0 0 0 0 0999 V2000 7.2193 6.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 6.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 5.7010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2193 5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 5.7010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6801 5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 5.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 6.5444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6801 6.9662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9497 6.5444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6801 7.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4106 8.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1410 7.8096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1410 6.9662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6019 6.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6019 7.8096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8715 8.2314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8037 8.5265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9497 7.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 5.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 7.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6641 6.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1410 6.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3324 8.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8715 9.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2273 9.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 9.0661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0272 8.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9624 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2184 9.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 6.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4819 8.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2440 8.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 9.6687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1040 10.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2380 10.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 11.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 10.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 9.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 3 20 1 6 0 0 0 8 21 1 1 0 0 0 9 22 1 6 0 0 0 14 23 1 6 0 0 0 16 24 1 1 0 0 0 17 25 1 1 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 24 1 0 0 0 0 11 28 1 1 0 0 0 5 29 1 6 0 0 0 25 30 1 1 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 18 30 1 0 0 0 0 28 18 1 0 0 0 0 18 34 1 1 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 27 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 M END > LMST01090006 > Hippuristanolide > 3alpha-acetoxy-24-methyl-(11beta,18),(18,20R)-diepoxy-5alpha-furospirostane > C30H44O6 > 500.31 > Sterol Lipids [ST] > Sterols [ST01] > Furospirostanols and derivatives [ST0109] > - > > VTXVCHLLYAKBLO-SIUFOHQSSA-N > InChI=1S/C30H44O6/c1-15-13-30(36-26(15,3)4)28(6)24-21(34-30)12-20-19-8-7-17-11-18(32-16(2)31)9-10-27(17,5)23(19)22-14-29(20,24)25(33-22)35-28/h15,17-25H,7-14H2,1-6H3/t15?,17-,18+,19-,20-,21-,22-,23+,24+,25+,27-,28+,29+,30?/m0/s1 > C1[C@]2(C)[C@@]3([H])[C@H]4O[C@]5([H])O[C@]6(C7(OC(C)(C)C(C)C7)O[C@@H]7[C@H]6[C@]5([C@]([H])([C@]3([H])CC[C@@]2([H])C[C@H](OC(=O)C)C1)C7)C4)C > - > - > 185904 > ST 30:5;O6 > - > - > 52931485 > - > - > - > - > - > 1074818 > - $$$$