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CHEBI:223922 - Guignardene A

ChEBI IDCHEBI:223922
ChEBI NameGuignardene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO3
Net Charge0
Average Mass273.332
Monoisotopic Mass273.13649
SMILESC=C(C(C)=O)C(=C\c1cccc(O)c1N)/C(=C/O)CC
InChIInChI=1S/C16H19NO3/c1-4-12(9-18)14(10(2)11(3)19)8-13-6-5-7-15(20)16(13)17/h5-9,18,20H,2,4,17H2,1,3H3/b12-9+,14-8+
InChIKeyAQCVSSBXUGYGDU-VQHXNPGESA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (26241103)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Guignardene A (CHEBI:223922) is a substituted aniline (CHEBI:48975)
IUPAC Name 
(4Z,5E)-4-[(2-amino-3-hydroxyphenyl)methylidene]-5-(hydroxymethylidene)-3-methylideneheptan-2-one
Manual XrefsDatabases
78434924ChemSpider