EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214753 - Deflectin D2

ChEBI IDCHEBI:214753
ChEBI NameDeflectin D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESCCCCCCCCCC[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/C26H36O5/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/h14-17,22-23H,5-13H2,1-4H3/t17-,22+,23-,26-/m0/s1
InChIKeyZUZQEKLFSXDAFH-IAIYQMRASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31812919)
ChEBI Ontology
Outgoing Relation(s)
Deflectin D2 (CHEBI:214753) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR,9R,9aR)-3,6a-dimethyl-9-[(2S)-2-methyldodecanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione