8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin

Properties Image MNX_ID MNXM39309 reference chebi:185215 formula C24H18O7 global charge 0 mol weight 418.401 InChIKey CUIRGMIYSYUUIL-VQHVLOKHSA-N InChI InChI=1S/C24H18O7/c25-16-8-6-13(10-18(16)27)7-9-17(26)23-20(29)12-19(28)22-15(11-21(30)31-24(22)23)14-4-2-1-3-5-14/h1-10,12,15,25,27-29H,11H2/b9-7+ SMILES O=C1CC(C2=CC=CC=C2)C2=C(O1)C(C(=O)/C=C/C1=CC(O)=C(O)C=C1)=C(O)C=C2O MNX internals InChI (mnx) InChI=1/C24H18O7/c25-16-8-6-13(10-18(16)27)7-9-17(26)23-20(29)12-19(28)22-15(11-21(30)31-24(22)23)14-4-2-1-3-5-14/h1-10,12,15,25,27-29H,11H2/b9-7+/t15? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14]([CH:15]2[CH2:11][C:21](=[O:30])[O:31][C:24]3=[C:22]2[C:19]([OH:28])=[CH:12][C:20]([OH:29])=[C:23]3[C:17](/[CH:9]=[CH:7]/[C:13]2=[CH:10][C:18]([OH:27])=[C:16]([OH:25])[CH:8]=[CH:6]2)=[O:26])[CH:5]=[CH:3]1

Parent-child relations graph

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