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CHEBI:4775 - ellagic acid

ChEBI IDCHEBI:4775
ChEBI Nameellagic acid
Stars
DefinitionAn organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates.
Last Modified5 October 2021
DownloadsMolfile

FormulaC14H6O8
Net Charge0
Average Mass302.194
Monoisotopic Mass302.00627
SMILESO=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIInChI=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
InChIKeyAFSDNFLWKVMVRB-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
INNs  Source
ellagic acidWHO MedNet
acide ellagique  frWHO MedNet
acidum ellagicum  laWHO MedNet
ácido elágico  esWHO MedNet
Synonyms  Source
Ellagic acidKEGG COMPOUND
Ellagsäure  deChEBI
4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactonePDBeChem
benzoaric acidChemIDplus
LagistaseChemIDplus
2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dioneChEBI
Manual XrefsDatabases
C10788KEGG COMPOUND
Ellagic_acidWikipedia
HMDB0002899HMDB
C00011153KNApSAcK
REFPDBeChem
CPD-17769MetaCyc
LSM-36455LINCS
4445149ChemSpider
DB08846DrugBank
FDB012575FooDB
Registry NumbersSources
Reaxys:47549Reaxys
CAS:476-66-4KEGG COMPOUND
CAS:476-66-4ChemIDplus
Citations