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CHEBI:207759 - Ochraspergillic acid A

ChEBI IDCHEBI:207759
ChEBI NameOchraspergillic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO6
Net Charge0
Average Mass307.302
Monoisotopic Mass307.10559
SMILESCOC1=CC(=O)OC1(O)C(C)CNc1ccccc1C(=O)O
InChIInChI=1S/C15H17NO6/c1-9(15(20)12(21-2)7-13(17)22-15)8-16-11-6-4-3-5-10(11)14(18)19/h3-7,9,16,20H,8H2,1-2H3,(H,18,19)
InChIKeyZZJZRTHZDVYXHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (30717441)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ochraspergillic acid A (CHEBI:207759) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
2-[2-(2-hydroxy-3-methoxy-5-oxouran-2-yl)propylamino]benzoic acid
Manual XrefsDatabases
71120861ChemSpider