4'-Hydroxyisoderricin

Properties Image MNX_ID MNXM37023 reference lipidmapsM:LMPK12140045 formula C21H22O4 global charge 0 mol weight 338.403 InChIKey IIIACKGGDCVYPY-FQEVSTJZSA-N InChI InChI=1S/C21H22O4/c1-13(2)4-9-17-19(24-3)11-10-16-18(23)12-20(25-21(16)17)14-5-7-15(22)8-6-14/h4-8,10-11,20,22H,9,12H2,1-3H3/t20-/m0/s1 SMILES COC1=C(CC=C(C)C)C2=C(C=C1)C(=O)C[C@@H](C1=CC=C(O)C=C1)O2 MNX internals InChI (mnx) InChI=1/C21H22O4/c1-13(2)4-9-17-19(24-3)11-10-16-18(23)12-20(25-21(16)17)14-5-7-15(22)8-6-14/h4-8,10-11,20,22H,9,12H2,1-3H3/t20-/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:4][CH2:9][C:17]1=[C:19]([O:24][CH3:3])[CH:11]=[CH:10][C:16]2=[C:21]1[O:25][C@H:20]([C:14]1=[CH:6][CH:8]=[C:15]([OH:22])[CH:7]=[CH:5]1)[CH2:12][C:18]2=[O:23]

Parent-child relations graph

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