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Benzoic acid, 2,3,4-trihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID FsBonFOOzKI
InChI InChI=1S/C16H14O8/c1-6-3-8(5-9(17)11(6)15(21)22)24-16(23)12-7(2)4-10(18)13(19)14(12)20/h3-5,17-20H,1-2H3,(H,21,22)
InChIKey UPYXFRYWDWLGRX-UHFFFAOYSA-N
Mol Weight 334.28 g/mol
Molecular Formula C16H14O8
Exact Mass 334.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABD88zPv4Y8
Name Benzoic acid, 2,3,4-trihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 537-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O8
InChI InChI=1S/C16H14O8/c1-6-3-8(5-9(17)11(6)15(21)22)24-16(23)12-7(2)4-10(18)13(19)14(12)20/h3-5,17-20H,1-2H3,(H,21,22)
InChIKey UPYXFRYWDWLGRX-UHFFFAOYSA-N
Molecular Weight 334.280 g/mol
SMILES Oc1cc(OC(c2c(c(c(cc2C)O)O)O)=O)cc(c1C(=O)O)C
SPLASH splash10-0gb9-2900000000-a647d2d832fd57ac2f51
Source of Spectrum B-30-2702-0
Synonyms .beta.-resorcylic acid, 6-methyl-, 4-(4,5,6-trihydroxy-O-toluate) 2-Hydroxy-6-methyl-4-[(2,3,4-trihydroxy-6-methylbenzoyl)oxy]benzoic acid Diploschistesic acid O-toluic acid, 4,5,6-trihydroxy-, 4-ester with 6-methyl-.beta.-resorcylic acid 2-Hydroxy-6-methyl-4-[oxo-(2,3,4-trihydroxy-6-methylphenyl)methoxy]benzoic acid 2-Hydroxy-6-methyl-4-(2,3,4-trihydroxy-6-methylbenzoyl)oxybenzoic acid 2-Methyl-4-[6-methyl-2,3,4-tris(oxidanyl)phenyl]carbonyloxy-6-oxidanyl-benzoic acid
Wiley ID 1330721