Feedback

4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM117721

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

formula

C₂₃H₂₆O₁₂

charge

mass

494.14243

reference

chebi:172714

InChIKey

FSEFRWXTJLHUBQ-QHZMYPFFSA-N

InChI

InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1

SMILES

COCc1ccc(C2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172714 chebi:172714	4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide (3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]oxane-2-carboxylic acid
hmdb:HMDB0127852	3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 3,4,5-Trihydroxy-6-[2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylate
hmdb:HMDB0029180	4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide (3S,4S,6S)-3,4,5-Trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy]oxane-2-carboxylate (3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy]oxane-2-carboxylic acid 4'-O-Methyl-(-)-epicatechin-3'-O-b-glucuronide 4'-O-Methyl-(-)-epicatechin-3'-O-beta-glucuronide
hmdb:HMDB29180	secondary/obsolete/fantasy identifier