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CHEBI:214730 - Deflectin C1

ChEBI IDCHEBI:214730
ChEBI NameDeflectin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCCCCCCCC(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C21H26O5/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/h10-12,18-19H,4-9H2,1-3H3/t18-,19-,21-/m0/s1
InChIKeyCKIALWFMAGOZKG-ZJOUEHCJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin C1 (CHEBI:214730) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-3,6a-dimethyl-9-octanoyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione