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CHEBI:203247 - Deflectin 2b

ChEBI IDCHEBI:203247
ChEBI NameDeflectin 2b
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O5
Net Charge0
Average Mass426.553
Monoisotopic Mass426.24062
SMILESCCCCCCCCCC[C@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O
InChIInChI=1S/C26H34O5/c1-5-6-7-8-9-10-11-12-13-17(2)24(28)22-23-20-16-30-18(3)14-19(20)15-21(27)26(23,4)31-25(22)29/h14-17H,5-13H2,1-4H3/t17-,26-/m0/s1
InChIKeyVWGYSDWIZCHBOH-QLXKLKPCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus deflectus (ncbitaxon:41745) - PubMed (7319924)
ChEBI Ontology
Outgoing Relation(s)
Deflectin 2b (CHEBI:203247) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR)-3,6a-dimethyl-9-[(2S)-2-methyldodecanoyl]uro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
25052512ChemSpider