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CHEBI:4492 - Dianthramine

ChEBI IDCHEBI:4492
ChEBI NameDianthramine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H11NO6
Net Charge0
Average Mass289.243
Monoisotopic Mass289.05864
SMILESO=C(O)c1ccc(O)cc1Nc1cc(O)ccc1C(=O)O
InChIInChI=1S/C14H11NO6/c16-7-1-3-9(13(18)19)11(5-7)15-12-6-8(17)2-4-10(12)14(20)21/h1-6,15-17H,(H,18,19)(H,20,21)
InChIKeySVZLTRRSGWXPBL-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)
Dianthramine (CHEBI:4492) is a hydroxybenzoic acid (CHEBI:24676)
Synonym  Source
DianthramineKEGG COMPOUND
Manual XrefsDatabases
C00001537KNApSAcK
C08478KEGG COMPOUND
Registry NumbersSources
CAS:136945-65-8KEGG COMPOUND