Vanillyl mandelic acid

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Systematic / IUPAC Name: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

ID: Reference1179

Other Names: 4-Hydroxy-3-methoxymandelic acid;
Mandelic acid, 4-hydroxy-3-methoxy-;
Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid;
3-Methoxy-4-hydroxymandelic acid;
Benzeneacetic acid, α,4-dihydroxy-3-methoxy- ; more

Formula: C9H10O5

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Vanillyl mandelic 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 1
No. of Spectra 37
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/5/2014 8:50:42 AM
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Identificators

InChI InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChI Key CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)C(C(=O)O)O)O
CAS 55107
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Other Names 4-Hydroxy-3-methoxymandelic acid;
Mandelic acid, 4-hydroxy-3-methoxy-;
Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid;
3-Methoxy-4-hydroxymandelic acid;
Benzeneacetic acid, α,4-dihydroxy-3-methoxy-;
DL-α,4-Dihydroxy-3-methoxyphenylacetic acid;
Vanillomandelic acid

In Other Databases

KEGG C05584
ChemIDPlus 000055107
PubChem 1245
ChEBI CHEBI:20106
ChemSpider 1207
Wikipedia Vanillylmandelic acid
ChEMBL CHEMBL1256396