Sinapinic acid

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Systematic / IUPAC Name: (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylic acid

ID: Reference1192

Other Names: 3,5-Dimethoxy-4-hydroxycinnamic acid;
(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid;
Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-;
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-;
4-Hydroxy-3,5-dimethoxycinnamic acid ; more

Formula: C11H12O5

Class: Endogenous Metabolites

Spectral Data

Sinapinic 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; Q Exactive Orbitrap
No. of Spectral Trees 5
No. of Spectra 4569
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 12/5/2014 8:32:37 AM
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Identificators

InChI InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
InChI Key PCMORTLOPMLEFB-ONEGZZNKSA-N
Canonical SMILES
CAS 530596
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Other Names 3,5-Dimethoxy-4-hydroxycinnamic acid;
(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid;
Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-;
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-;
4-Hydroxy-3,5-dimethoxycinnamic acid;
Sinapinic acid;
Sinapic acid, trans-

In Other Databases

ChemSpider 553361
PubChem 637775
KEGG C00482
ChemIDPlus 007362370
Wikipedia Sinapinic acid
ChEMBL CHEMBL109341
HMDb HMDB32616
ChEBI CHEBI:15714