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CHEBI:214746 - Deflectin D1

ChEBI IDCHEBI:214746
ChEBI NameDeflectin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCCCCCCCC[C@H](C)C(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C24H32O5/c1-5-6-7-8-9-10-11-15(2)22(26)20-21-18-14-28-16(3)12-17(18)13-19(25)24(21,4)29-23(20)27/h12-15,20-21H,5-11H2,1-4H3/t15-,20+,21-,24-/m0/s1
InChIKeyVDFZZRYEMBZNOL-YYBAZUPLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin D1 (CHEBI:214746) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-3,6a-dimethyl-9-[(2S)-2-methyldecanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione