LMST01070000 Accord 08271317182D 31 35 0 0 0 0 0 0 0 0999 V2000 7.8211 6.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8166 7.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 6.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 7.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 6.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9557 6.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9586 7.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 7.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8211 6.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 8.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 6.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 6.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 5.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8211 5.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 5.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 6.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 6.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 8.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6115 7.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 8.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3054 8.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1703 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0352 8.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9000 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0352 9.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7814 9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 6 12 1 6 0 0 0 4 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 1 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 13 21 1 1 0 0 0 4 22 1 6 0 0 0 9 23 1 1 0 0 0 8 24 1 1 0 0 0 23 25 1 0 0 0 0 25 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 23 31 1 6 0 0 0 M END > LMST01070000 > Furostane skeleton > > > - > Sterol Lipids [ST] > Sterols [ST01] > Furostanols and derivatives [ST0107] > - > > CTYOUOHIEXEYAW-MEVSNGMESA-N > InChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23-,24+,25+,26+,27+/m1/s1 > [C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@H](C)[C@@H](CCC(C)C)O[C@H]3C[C@@]21[H])[H] > - > - > 24130 > - > - > - > 53740100 > - > - > - > - > - > - > - $$$$