4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan

Properties Image MNX_ID MNXM26412 reference lipidmapsM:LMPK12020274 formula C25H24O5 global charge 0 mol weight 404.462 InChIKey PEFRTDSZTRQEAJ-YSDILOFCSA-N InChI InChI=1S/C25H24O5/c1-28-21-14-23(29-2)25-18(6-3-16-4-9-19(26)10-5-16)13-22(30-24(25)15-21)17-7-11-20(27)12-8-17/h3-12,14-15,18,22,26-27H,13H2,1-2H3/b6-3+/t18-,22+/m0/s1 SMILES COC1=CC(OC)=C2C(=C1)O[C@@H](C1=CC=C(O)C=C1)C[C@@H]2/C=C/C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C25H24O5/c1-28-21-14-23(29-2)25-18(6-3-16-4-9-19(26)10-5-16)13-22(30-24(25)15-21)17-7-11-20(27)12-8-17/h3-12,14-15,18,22,26-27H,13H2,1-2H3/b6-3+/t18-,22+/m0/s1 SMILES (mnx) [CH3:1][O:28][C:21]1=[CH:14][C:23]([O:29][CH3:2])=[C:25]2[C@@H:18](/[CH:6]=[CH:3]/[C:16]3=[CH:5][CH:10]=[C:19]([OH:26])[CH:9]=[CH:4]3)[CH2:13][C@H:22]([C:17]3=[CH:8][CH:12]=[C:20]([OH:27])[CH:11]=[CH:7]3)[O:30][C:24]2=[CH:15]1

Parent-child relations graph

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