bauhinoxepin B

Properties Image MNX_ID MNXM102991 reference chebi:65469 formula C21H22O4 global charge 0 mol weight 338.403 InChIKey LSRDCIRGVJBGRF-UHFFFAOYSA-N InChI InChI=1S/C21H22O4/c1-12(2)5-6-14-8-10-18-16(19(14)23)9-7-15-11-17(22)13(3)20(24-4)21(15)25-18/h5,7-11,22-23H,6H2,1-4H3 SMILES COC1=C(C)C(O)=CC2=C1OC1=CC=C(CC=C(C)C)C(O)=C1C=C2 MNX internals InChI (mnx) InChI=1/C21H22O4/c1-12(2)5-6-14-8-10-18-16(19(14)23)9-7-15-11-17(22)13(3)20(24-4)21(15)25-18/h5,7-11,22-23H,6H2,1-4H3 SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:5][CH2:6][C:14]1=[C:19]([OH:23])[C:16]2=[C:18]([CH:10]=[CH:8]1)[O:25][C:21]1=[C:15]([CH:7]=[CH:9]2)[CH:11]=[C:17]([OH:22])[C:13]([CH3:3])=[C:20]1[O:24][CH3:4]

Parent-child relations graph

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