7beta-Hydroxy-lathyrol

Properties Image MNX_ID MNXM39216 reference chebi:184651 formula C20H30O4 global charge 0 mol weight 334.456 InChIKey XYXDIXJADPYNOO-BGATWKAUSA-N InChI InChI=1S/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/t12-,13+,14-,15?,16+,17-,20+/m0/s1 SMILES C=C1CC2[C@@H](O)[C@@H](C)C[C@]2(O)C(=O)C(C)=C[C@@H]2[C@H](C[C@H]1O)C2(C)C MNX internals InChI (mnx) InChI=1/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/b11-7?/t12-,13+,14-,15?,16+,17-,20+/m0/s1 SMILES (mnx) [CH2:1]=[C:10]1[CH2:6][CH:15]2[C@@H:17]([OH:22])[C@@H:12]([CH3:3])[CH2:9][C@:20]2([OH:24])[C:18](=[O:23])[C:11]([CH3:2])=[CH:7][C@@H:13]2[C@H:14]([CH2:8][C@H:16]1[OH:21])[C:19]2([CH3:4])[CH3:5]

Parent-child relations graph

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