inokosterone

Properties Image MNX_ID MNXM45283 reference chebi:27495 formula C27H44O7 global charge 0 mol weight 480.642 InChIKey JQNVCUBPURTQPQ-GYVHUXHASA-N InChI InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1 SMILES C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:5][CH2:6][C@H:23]([C@@:26]([CH3:4])([C@H:22]1[CH2:8][CH2:10][C@@:27]2([OH:34])[C:17]3=[CH:11][C:19](=[O:29])[C@@H:18]4[CH2:12][C@@H:20]([OH:30])[C@@H:21]([OH:31])[CH2:13][C@:24]4([CH3:2])[C@H:16]3[CH2:7][CH2:9][C@:25]12[CH3:3])[OH:33])[OH:32])[CH2:14][OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0