Molecule record

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C₁₄H₆O₈

302.19 g/mol

Loading structure

Molecular properties

Formula: C₁₄H₆O₈
Molar mass: 302.19 g·mol⁻¹
Exact mass: 302.0063 Da
: 12
PubChem CID: 5281855

Functional groups

Aromatic ring

Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

19YRN3ZS9P
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
476-66-4
Acide ellagique
Acido elagico
Acidum ellagicum
Alizarine Yellow

Show all 24 synonyms

Benzoaric acid
C.I. 55005
C.I. 75270
DTXCID60557
DTXSID2020557
Elagostasine
Eleagic acid
Gallogen
Gallogen (astringent)
Lagistase
Llagic acid
NSC-407286
NSC-656272
NSC407286
NSC656272
ellagic acid

Structure identifiers

Canonical SMILES: O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
Isomeric SMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
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
PubChem CID: 5281855

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record