2,5-Dihydroxybenzaldehyde

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Systematic / IUPAC Name: 2,5-Dihydroxybenzaldehyde

ID: Reference131

Other Names: Benzaldehyde, 2,5-dihydroxy-;
2-Formylhydroquinone;
2-Formylbenzene-1,4-diol;
Gentisaldehyde;
Gentisate aldehyde

Formula: C7H6O3

Class: Endogenous Metabolites

Spectral Data

2,5-Dihydroxybenzaldehyde 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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 228
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 3:02:10 PM
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Identificators

InChI InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
InChI Key CLFRCXCBWIQVRN-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1O)C=O)O
CAS 1194985
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Other Names Benzaldehyde, 2,5-dihydroxy-;
2-Formylhydroquinone;
2-Formylbenzene-1,4-diol;
Gentisaldehyde;
Gentisate aldehyde;
2,5-DHBAOP

In Other Databases

ChEMBL CHEMBL243186
ChemIDPlus 001194985
KEGG C05585
ChemSpider 64111
PubChem 70949
ChEBI CHEBI:28508
HMDb HMDB04062