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Naringenin 4'-O-glucuronide

PropertiesImage
MNX_IDMNXM128592 Image of MNXM128592
referencechebi:176386
formulaC21H20O11
global charge0
mol weight448.38
InChIKeyDFIUUCDSSKATFP-DNPGXZAYSA-N
InChIInChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
SMILESO=C1CC(C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=C1C(O)=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1 Image of MNXM128592
SMILES (mnx)[CH:1]1=[CH:3][C:10]([O:30][C@H:21]2[C@H:18]([OH:27])[C@@H:16]([OH:25])[C@H:17]([OH:26])[C@@H:19]([C:20](=[O:28])[OH:29])[O:32]2)=[CH:4][CH:2]=[C:8]1[CH:13]1[CH2:7][C:12](=[O:24])[C:15]2=[C:11]([OH:23])[CH:5]=[C:9]([OH:22])[CH:6]=[C:14]2[O:31]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:176386
chebi:176386
DFIUUCDSSKATFP-DNPGXZAYSA-N 		Naringenin 4'-O-glucuronide
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0257722
DFIUUCDSSKATFP-UHFFFAOYSA-N 		(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate
6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0041759
DFIUUCDSSKATFP-DNPGXZAYSA-N 		Naringenin 4'-O-glucuronide
(2S,3S,4S,5R,6S)-6-[4-(5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

hmdb:HMDB0029208
hmdb:HMDB29208
hmdb:HMDB41759 		secondary/obsolete/fantasy identifier