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CHEBI:199943 - Deflectin 2a

ChEBI IDCHEBI:199943
ChEBI NameDeflectin 2a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCCCCCCCC[C@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O
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/h12-15H,5-11H2,1-4H3/t15-,24-/m0/s1
InChIKeyHEDXHFZUZSYLJP-OWJWWREXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus deflectus (ncbitaxon:41745) - PubMed (7319924)
ChEBI Ontology
Outgoing Relation(s)
Deflectin 2a (CHEBI:199943) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR)-3,6a-dimethyl-9-[(2S)-2-methyldecanoyl]uro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
25052504ChemSpider