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CHEBI:225140 - Deflectin 1a

ChEBI IDCHEBI:225140
ChEBI NameDeflectin 1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C21H24O5/c1-4-5-6-7-8-9-16(22)18-19-15-12-25-13(2)10-14(15)11-17(23)21(19,3)26-20(18)24/h10-12H,4-9H2,1-3H3/t21-/m1/s1
InChIKeyYNVKQPJBOAUYIJ-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus deflectus (ncbitaxon:41745) - PubMed (7319924)
ChEBI Ontology
Outgoing Relation(s)
Deflectin 1a (CHEBI:225140) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aS)-3,6a-dimethyl-9-octanoyluro[2,3-h]isochromene-6,8-dione