brassinolide

Properties Image MNX_ID MNXM739698 reference chebi:28277 formula C28H48O6 global charge 0 mol weight 480.686 InChIKey IXVMHGVQKLDRKH-KNBKMWSGSA-N InChI InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1 SMILES CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=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/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C@H:15]([CH3:3])[C@H:24]([C@@H:25]([C@@H:16]([CH3:4])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:13][O:34][C:26](=[O:33])[C@H:21]4[CH2:11][C@H:22]([OH:29])[C@H:23]([OH:30])[CH2:12][C@:28]4([CH3:6])[C@H:20]3[CH2:9][CH2:10][C@:27]12[CH3:5])[OH:32])[OH:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 1