Esculetin

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Systematic / IUPAC Name: 6,7-Dihydroxy-2H-chromen-2-one

ID: Reference3417

Other Names: Aesculetin;
Asculetine;
Cichorigenin;
Cichoriin aglucon;
Cichoriin aglycon ; more

Formula: C9H6O4

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Personal Care Products/Cosmetics Natural Toxins Natural Products/Medicines

Spectral Data

Esculetin 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 481
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 11/24/2015 1:18:19 PM
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Identificators

InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Canonical SMILES C1=CC(=O)OC2=CC(=C(C=C21)O)O
CAS 305011
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Other Names Aesculetin;
Asculetine;
Cichorigenin;
Cichoriin aglucon;
Cichoriin aglycon;
Esculatin;
Esculetol;
Esculin aglucon;
Esculin aglycon;
2H-1-Benzopyran-2-one, 6,7-dihydroxy-;
6,7-Dihydroxy-2H-1-benzopyran-2-one;
6,7-Dihydroxy-2-benzopyrone;
6,7-Dihydroxy-2-chromenone;
6,7-Dihydroxychromen-2-one;
6,7-Dihydroxycoumarin;
Coumarin, 6,7-dihydroxy-

In Other Databases

ChemIDPlus 000305011
HMDb HMDB30819
ChEBI CHEBI:490095
Wikipedia Aesculetin
ChemSpider 4444764
KEGG C09263
PubChem 5281416