dihydroxyphaseic acid

Properties Image MNX_ID MNXM167647 reference metacycM:CPD-7726 formula C15H21O5 global charge -1 mol weight 281.328 InChIKey XIVFQYWMMJWUCD-GCLQBGPMSA-M InChI InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/p-1/b5-4+,10-6-/t11-,13-,14+,15-/m0/s1 SMILES CC(=C/C(=O)[O-])/C=C/[C@]1(O)[C@]2(C)CO[C@]1(C)C[C@@H](O)C2 MNX internals InChI (mnx) InChI=1/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13-,14+,15-/m0/s1 SMILES (mnx) [CH3:1][C:10](/[CH:4]=[CH:5]/[C@:15]1([OH:19])[C@@:13]2([CH3:2])[CH2:7][C@H:11]([OH:16])[CH2:8][C@@:14]1([CH3:3])[O:20][CH2:9]2)=[CH:6]/[C:12](=[O:17])[OH:18]

Parent-child relations graph

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