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CHEBI:214735 - Deflectin C2

ChEBI IDCHEBI:214735
ChEBI NameDeflectin C2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILESCCCCCCCCCC(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C23H30O5/c1-4-5-6-7-8-9-10-11-18(24)20-21-17-14-27-15(2)12-16(17)13-19(25)23(21,3)28-22(20)26/h12-14,20-21H,4-11H2,1-3H3/t20-,21-,23-/m0/s1
InChIKeyBRXXMDFMGGMROO-FUDKSRODSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin C2 (CHEBI:214735) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-9-decanoyl-3,6a-dimethyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione