Ellagic acid

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Systematic / IUPAC Name: 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione

ID: Reference1345

Other Names: Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-;
Ellagic acid;
Benzoaric acid;
Lagistase;
Alizarine yellow ; more

Formula: C14H6O8

Class: Endogenous Metabolites

Spectral Data

Ellagic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 93
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 9:14:35 AM
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Identificators

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
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Canonical SMILES C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
CAS 476664
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Other Names Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-;
Ellagic acid;
Benzoaric acid;
Lagistase;
Alizarine yellow;
Elagostasine;
Ellagate;
Llagate

In Other Databases

ChEMBL CHEMBL6246
PubChem 5281855
KEGG C10788
ChEBI CHEBI:4775
ChemIDPlus 000476664
ChemSpider 4445149
Wikipedia Ellagic acid
HMDb HMDB02899