Evernic acid

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Systematic / IUPAC Name: 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid

ID: Reference6134

Other Names: Evernic acid, pruiss;
2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-β-resorcylate;
2-Hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid;
4-[(4-Methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acid;
Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methyl-

Formula: C17H16O7

Class: Endogenous Metabolites

Spectral Data

Evernic 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 1335
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/1/2016 9:50:24 AM
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Identificators

InChI InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)
InChI Key GODLCSLPZIBRMG-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC
CAS 537097
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Other Names Evernic acid, pruiss;
2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-β-resorcylate;
2-Hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid;
4-[(4-Methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acid;
Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methyl-;
NSC 81164

In Other Databases

ChEBI CHEBI:111284
ChEMBL CHEMBL1484978
ChemIDPlus 000537097
PubChem 10829
ChemSpider 10372