Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

enlarge

Systematic / IUPAC Name: Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

ID: Reference7634

Other Names: 2-(2,6-Dihydroxy-4-methyl-benzoyl)-3,5-dihydroxy-benzoic acid methyl ester;
Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxy-, methyl ester;
3-O-Demethylsulochrin

Formula: C16H14O7

Spectral Data

Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 11:45:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(21)13-9(16(22)23-2)5-8(17)6-12(13)20/h3-6,17-20H,1-2H3
InChI Key GIJDACMRFIMBET-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2C(=O)OC)O)O)O
CAS 57459060
Splash
Other Names 2-(2,6-Dihydroxy-4-methyl-benzoyl)-3,5-dihydroxy-benzoic acid methyl ester;
Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxy-, methyl ester;
3-O-Demethylsulochrin

In Other Databases

ChemSpider 22369650
PubChem 24039290
ChEMBL CHEMBL61045