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CHEBI:205353 - Pitholide C

ChEBI IDCHEBI:205353
ChEBI NamePitholide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCC1=CC2=CC3=C(C(=O)CCCCC[C@@H](C)O)C(=O)O[C@]3(C)[C@H](O)C2=CO1
InChIInChI=1S/C21H26O6/c1-12(22)7-5-4-6-8-17(23)18-16-10-14-9-13(2)26-11-15(14)19(24)21(16,3)27-20(18)25/h9-12,19,22,24H,4-8H2,1-3H3/t12-,19-,21+/m1/s1
InChIKeyPFALYUDCQYQBHE-RHZWSATBSA-N
Species of MetaboliteComponentSourceComments
Pithomycesspecies (ncbitaxon:2032998) - DOI (10.1016/s0040-4039(97)10277-5)
ChEBI Ontology
Outgoing Relation(s)
Pitholide C (CHEBI:205353) is a polyketide (CHEBI:26188)
IUPAC Name 
(9R,9aS)-9-hydroxy-3-[(7R)-7-hydroxyoctanoyl]-6,9a-dimethyl-9H-uro[3,2-g]isochromen-2-one
Manual XrefsDatabases
10476920ChemSpider