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CHEBI:201719 - Pitholide D

Default Structure
ChEBI IDCHEBI:201719
ChEBI NamePitholide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCCCCCCCC(=O)C1=C2C=C3C=C(C)OC=C3[C@@H](O)[C@@]2(C)OC1=O
InChIInChI=1S/C21H26O5/c1-4-5-6-7-8-9-17(22)18-16-11-14-10-13(2)25-12-15(14)19(23)21(16,3)26-20(18)24/h10-12,19,23H,4-9H2,1-3H3/t19-,21+/m1/s1
InChIKeyLWWKRRPNDFSENZ-CTNGQTDRSA-N
Species of MetaboliteComponentSourceComments
Pithomycesspecies (ncbitaxon:2032998) - DOI (10.1016/s0040-4039(97)10277-5)
ChEBI Ontology
Outgoing Relation(s)
Pitholide D (CHEBI:201719) is a polyketide (CHEBI:26188)
IUPAC Name 
(9R,9aS)-9-hydroxy-6,9a-dimethyl-3-octanoyl-9H-uro[3,2-g]isochromen-2-one
Manual XrefsDatabases
10476919ChemSpider