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hesperetin-7-O-glucuronide

Properties

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Occurences in reactions

MNX_ID

MNXM126440

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

formula

C₂₁H₂₂O₁₂

charge

mass

466.11113

reference

chebi:177264

InChIKey

PLNORHFXCFFTRD-UHFFFAOYSA-N

InChI

InChI=1S/C21H22O12/c1-29-12-3-2-8(4-10(12)22)14-7-30-18-11(23)5-9(6-13(18)32-14)31-21-17(26)15(24)16(25)19(33-21)20(27)28/h2-6,14-17,19,21-26H,7H2,1H3,(H,27,28)

SMILES

COc1ccc(C2COc3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1O

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:177264 chebi:177264	hesperetin-7-O-glucuronide 3,4,5-trihydroxy-6-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]oxane-2-carboxylic acid
hmdb:HMDB0029203	hesperetin-7-O-glucuronide 3,4,5-Trihydroxy-6-{[8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy}oxane-2-carboxylate 3,4,5-trihydroxy-6-{[8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy}oxane-2-carboxylic acid HPT7g Compound Hesperetin-7-O-glucuronide
hmdb:HMDB29203	secondary/obsolete/fantasy identifier