Search MNXref
 Feedback

4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide

MNXM117724 is deprecated and here replaced by MNXM1365364
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1365364 Image of MNXM1365364
referencechebi:169271
formulaC23H26O11
global charge0
mol weight478.45
InChIKeyWWUOCDVEANIMJR-PJNUPCPCSA-N
InChIInChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)24)20-15(26)8-12-14(25)6-11(7-16(12)33-20)32-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,15,17-21,23-29H,2,8H2,1H3,(H,30,31)/t15-,17-,18-,19?,20?,21?,23+/m0/s1
SMILESCCC1=C(O)C=C(C2OC3=C(C[C@@H]2O)C(O)=CC(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)=C3)C=C1
MNX internals
InChI (mnx)InChI=1/C23H26O11/c1-2-9-3-4-10(5-13(9)24)20-15(26)8-12-14(25)6-11(7-16(12)33-20)32-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,15,17-21,23-29H,2,8H2,1H3,(H,30,31)/t15-,17-,18-,19?,20?,21?,23+/m0/s1 Image of MNXM1365364
SMILES (mnx)[CH3:1][CH2:2][C:9]1=[C:13]([OH:24])[CH:5]=[C:10]([CH:20]2[C@@H:15]([OH:26])[CH2:8][C:12]3=[C:14]([OH:25])[CH:6]=[C:11]([O:32][C@H:23]4[CH:19]([OH:29])[C@@H:17]([OH:27])[C@H:18]([OH:28])[CH:21]([C:22](=[O:30])[OH:31])[O:34]4)[CH:7]=[C:16]3[O:33]2)[CH:4]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169271
chebi:169271
WWUOCDVEANIMJR-PJNUPCPCSA-N 		4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide
(3S,4S,6S)-6-[[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid