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ellagic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM17482

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₄H₆O₈

charge

mass

302.00627

reference

InChIKey

AFSDNFLWKVMVRB-UHFFFAOYSA-N

InChI

InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

SMILES

O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4775 chebi:4775	ellagic acid 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone Ellagic acid Ellagsaeure Lagistase acide ellagique acido elagico acidum ellagicum benzoaric acid
kegg.compound:C10788 keggC:C10788	Ellagic acid
hmdb:HMDB0002899	Ellagic acid 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione 4,4',5,5',6,6'-Hexahydroxydiphenate 2,6,2',6'-dilactone 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione Acid, benzoaric Acid, ellagic Acide ellagique Acido elagico Acidum ellagicum Alizarine yellow Benzoarate Benzoaric acid Elagostasine Eleagate Eleagic acid Ellagate Ellagic acid dihydrate Ellagic acid hydrate Ellagsaeure Gallogen Lagistase Llagate Llagic acid
seed.compound:cpd07674 seedM:cpd07674	Ellagic acid ellagate ellagic acid
metacyc.compound:CPD-17769 metacycM:CPD-17769	ellagic acid ellagate
hmdb:HMDB02899 keggC:M_C10788 seedM:M_cpd07674	secondary/obsolete/fantasy identifier