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CHEBI:48948 - demethylsulochrin

ChEBI IDCHEBI:48948
ChEBI Namedemethylsulochrin
Stars
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOc1cc(O)cc(C(=O)O)c1C(=O)c1c(O)cc(C)cc1O
InChIInChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)
InChIKeyXMNMFMYKFRXRFH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
demethylsulochrin (CHEBI:48948) has functional parent benzophenone (CHEBI:41308)
demethylsulochrin (CHEBI:48948) is a benzoic acids (CHEBI:22723)
demethylsulochrin (CHEBI:48948) is conjugate acid of demethylsulochrin(1−) (CHEBI:58760)
Incoming Relation(s)
sulochrin (CHEBI:16159) has functional parent demethylsulochrin (CHEBI:48948)
demethylsulochrin(1−) (CHEBI:58760) is conjugate base of demethylsulochrin (CHEBI:48948)
IUPAC Name 
2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid
Synonym  Source
desmethylsulochrinChEBI
Manual XrefsDatabases
C15504KEGG COMPOUND
C00000571KNApSAcK
Registry NumbersSources
Beilstein:2707761Beilstein
CAS:59092-92-1NIST Chemistry WebBook