4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]

Properties Image MNX_ID MNXM117802 reference chebi:190080 formula C32H32O12 global charge 0 mol weight 608.596 InChIKey AHLBWJHZDLMJOJ-SDNWHVSQSA-N InChI InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+ SMILES CC(=O)CCC1=CC=C(OC2OC(COC(=O)/C=C/C3=CC=CC=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+/t25?,28?,29?,30?,32? SMILES (mnx) [CH3:1][C:18]([CH2:7][CH2:8][C:20]1=[CH:10][CH:13]=[C:22]([O:42][CH:32]2[CH:30]([O:44][C:31]([C:21]3=[CH:15][C:23]([OH:34])=[C:27]([OH:37])[C:24]([OH:35])=[CH:16]3)=[O:40])[CH:29]([OH:39])[CH:28]([OH:38])[CH:25]([CH2:17][O:41][C:26](/[CH:14]=[CH:11]/[C:19]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)=[O:36])[O:43]2)[CH:12]=[CH:9]1)=[O:33]

Parent-child relations graph

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