Isohomovanillic acid

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Systematic / IUPAC Name: (3-Hydroxy-4-methoxyphenyl)acetic acid

ID: Reference453

Other Names: 3-Hydroxy-4-methoxyphenylacetic acid;
2-(3-Hydroxy-4-methoxyphenyl)acetic acid;
Benzeneacetic acid, 3-hydroxy-4-methoxy-;
Homoisovanillic acid

Formula: C9H10O4

Class: Endogenous Metabolites

Spectral Data

Isohomovanillic 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 Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 151
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 1/22/2015 9:42:17 AM
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Identificators

InChI InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChI Key BWXLCOBSWMQCGP-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)CC(=O)O)O
CAS 1131948
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Other Names 3-Hydroxy-4-methoxyphenylacetic acid;
2-(3-Hydroxy-4-methoxyphenyl)acetic acid;
Benzeneacetic acid, 3-hydroxy-4-methoxy-;
Homoisovanillic acid

In Other Databases

HMDb HMDB00333
ChEBI CHEBI:70818
ChEMBL CHEMBL1299652
PubChem 160562
ChemSpider 141092
ChemIDPlus 001131948
Wikipedia Homovanillic acid