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CHEBI:201002 - Pitholide B

ChEBI IDCHEBI:201002
ChEBI NamePitholide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCCCCCCCC(=O)C1=C2C(C=O)=C3C=C(C)OC=C3[C@@H](O)[C@@]2(C)OC1=O
InChIInChI=1S/C22H26O6/c1-4-5-6-7-8-9-17(24)18-19-15(11-23)14-10-13(2)27-12-16(14)20(25)22(19,3)28-21(18)26/h10-12,20,25H,4-9H2,1-3H3/t20-,22+/m1/s1
InChIKeyYJGCSFJMDFPSMK-IRLDBZIGSA-N
Species of MetaboliteComponentSourceComments
Pithomycesspecies (ncbitaxon:2032998) - DOI (10.1016/s0040-4039(97)10277-5)
ChEBI Ontology
Outgoing Relation(s)
Pitholide B (CHEBI:201002) is a polyketide (CHEBI:26188)
IUPAC Name 
(9R,9aS)-9-hydroxy-6,9a-dimethyl-3-octanoyl-2-oxo-9H-uro[3,2-g]isochromene-4-carbaldehyde
Manual XrefsDatabases
10476918ChemSpider