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CHEBI:64398 - monodictyphenone

ChEBI IDCHEBI:64398
ChEBI Namemonodictyphenone
Stars
DefinitionA member of the class of benzophenones in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups while the other is substituted at positions 2, 4, and 6 by hydroxy, methyl, and carboxy groups, respectively. First obtained from the fungal strain Monodictys putredinis, isolated from the inner tissue of a marine green alga, it was subsequently obtained from the fungus Aspergillus nidulans.
Last Modified4 June 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCc1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1
InChIInChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)
InChIKeyUMNWQJSVQOCNEM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
monodictyphenone (CHEBI:64398) has role metabolite (CHEBI:25212)
monodictyphenone (CHEBI:64398) is a benzoic acids (CHEBI:22723)
monodictyphenone (CHEBI:64398) is a benzophenones (CHEBI:22726)
monodictyphenone (CHEBI:64398) is a monocarboxylic acid (CHEBI:25384)
monodictyphenone (CHEBI:64398) is a resorcinols (CHEBI:33572)
IUPAC Name 
2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylbenzoic acid
Registry NumbersSources
Reaxys:11058831Reaxys
Citations