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CHEBI:214741 - Deflectin C3

Default Structure
ChEBI IDCHEBI:214741
ChEBI NameDeflectin C3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCCCCCCCCCCCC(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C25H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(26)22-23-19-16-29-17(2)14-18(19)15-21(27)25(23,3)30-24(22)28/h14-16,22-23H,4-13H2,1-3H3/t22-,23-,25-/m0/s1
InChIKeyOBXPQZVMYVDCFN-LSQMVHIFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin C3 (CHEBI:214741) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR,9R,9aR)-9-dodecanoyl-3,6a-dimethyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione