8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol

Properties Image MNX_ID MNXM27610 reference chebi:140132 formula C33H30O7 global charge 0 mol weight 538.596 InChIKey YKHFNHVQGRPOOZ-ZJYVBTJHSA-N InChI InChI=1S/C33H30O7/c1-20-26(34)18-30(40-33(36)22-12-8-5-9-13-22)25(31(20)38-3)15-14-23-27(35)19-29(37-2)24-16-17-28(39-32(23)24)21-10-6-4-7-11-21/h4-15,18-19,28,34-35H,16-17H2,1-3H3/b15-14+/t28-/m0/s1 SMILES COC1=C2CC[C@@H](C3=CC=CC=C3)OC2=C(/C=C/C2=C(OC)C(C)=C(O)C=C2OC(=O)C2=CC=CC=C2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C33H30O7/c1-20-26(34)18-30(40-33(36)22-12-8-5-9-13-22)25(31(20)38-3)15-14-23-27(35)19-29(37-2)24-16-17-28(39-32(23)24)21-10-6-4-7-11-21/h4-15,18-19,28,34-35H,16-17H2,1-3H3/b15-14+/t28-/m0/s1 SMILES (mnx) [CH3:1][C:20]1=[C:31]([O:38][CH3:3])[C:25](/[CH:15]=[CH:14]/[C:23]2=[C:32]3[C:24](=[C:29]([O:37][CH3:2])[CH:19]=[C:27]2[OH:35])[CH2:16][CH2:17][C@@H:28]([C:21]2=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]2)[O:39]3)=[C:30]([O:40][C:33]([C:22]2=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]2)=[O:36])[CH:18]=[C:26]1[OH:34]

Parent-child relations graph

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