Penicillic acid

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Systematic / IUPAC Name: (2Z)-3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid

ID: Reference6175

Other Names: (2Z)-3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid;
2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, (2Z)-

Formula: C8H10O4

Class: Natural Toxins

Spectral Data

Penicillic 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 1846
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/15/2016 12:02:12 PM
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Identificators

InChI InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-
InChI Key VOUGEZYPVGAPBB-XQRVVYSFSA-N
Canonical SMILES CC(=C)C(=O)C(=CC(=O)O)OC
CAS 90653
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Other Names (2Z)-3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid;
2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, (2Z)-

In Other Databases

ChemSpider 1064791
Wikipedia Penicillic acid
ChemIDPlus 074667520; 000090653
PubChem 1268111