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M  END
> <ID>
CHEBI:4775

> <NAME>
ellagic acid

> <DEFINITION>
An 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.

> <STAR>
3

> <SYNONYM>
Lagistase; Ellagsaeure; Ellagic acid; benzoaric acid; 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone; 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione

> <IUPAC_NAME>
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione

> <INN>
ellagic acid; acidum ellagicum; acido elagico; acide ellagique

> <FORMULA>
C14H6O8

> <MASS>
302.194

> <MONOISOTOPIC_MASS>
302.00627

> <CHARGE>
0

> <SMILES>
OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4)=C1O

> <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

> <INCHIKEY>
AFSDNFLWKVMVRB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
47549

> <CAS_REGISTRY_NUMBER>
476-66-4

> <REAXYS_REGISTRY_NUMBER>
47549

> <CHEMIDPLUS>
476-66-4

> <DRUGBANK_ACCESSION>
DB08846

> <KEGG_COMPOUND_ACCESSION>
C10788

> <KNAPSACK_ACCESSION>
C00011153

> <LINCS_ACCESSION>
LSM-36455

> <METACYC_ACCESSION>
CPD-17769

> <PDBECHEM_ACCESSION>
REF

> <WIKIPEDIA_ACCESSION>
Ellagic_acid

> <PUBMED_CITATION>
10445164; 10999626; 1111277; 11902978; 12127243; 15309440; 15659385; 1579892; 15936648; 16172180; 16317787; 16601672; 17379263; 17940513; 18155344; 19015354; 19414254; 19684079; 20034460; 21805983; 21922312; 22173652; 22538930; 22626975; 23058930; 23060566; 23092326; 23322372; 25438234; 25980608; 32961204; 7644381

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