Isovanillic acid

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Systematic / IUPAC Name: 3-Hydroxy-4-methoxybenzoic acid

ID: Reference455

Other Names: 3-Hydroxy-p-anisic acid;
3-Hydroxyanisic acid;
p-Anisic acid, 3-hydroxy-;
Benzoic acid, 3-hydroxy-4-methoxy-;
2-Methoxy-5-carboxyphenol ; more

Formula: C8H8O4

Class: Endogenous Metabolites

Spectral Data

Isovanillic 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 244
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/22/2015 10:36:06 AM
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Identificators

InChI InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key LBKFGYZQBSGRHY-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)C(=O)O)O
CAS 645089
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Other Names 3-Hydroxy-p-anisic acid;
3-Hydroxyanisic acid;
p-Anisic acid, 3-hydroxy-;
Benzoic acid, 3-hydroxy-4-methoxy-;
2-Methoxy-5-carboxyphenol;
4-Carboxy-2-hydroxyanisole;
Isovanillic acid;
5-Carboxyguaiacol

In Other Databases

ChemIDPlus 000645089
Wikipedia Isovanillinsäure (DE)
ChEMBL CHEMBL88700
HMDb HMDB60003
PubChem 12575
ChEBI CHEBI:63798
ChemSpider 12055