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CHEBI:214760 - Deflectin E

ChEBI IDCHEBI:214760
ChEBI NameDeflectin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCCCCCCC/C=C(\C)C(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C24H30O5/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/h11-14,20-21H,5-10H2,1-4H3/b15-11+/t20-,21+,24+/m1/s1
InChIKeyMKXJTPPQQZQEPZ-FWFMXTIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin E (CHEBI:214760) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-3,6a-dimethyl-9-[(E)-2-methyldec-2-enoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione