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CHEBI:213317 - Pestalothiopsone C

ChEBI IDCHEBI:213317
ChEBI NamePestalothiopsone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCCCCCCCc1cc(=O)c2c(CC(=O)O)cc(O)cc2o1
InChIInChI=1S/C18H22O5/c1-2-3-4-5-6-7-14-11-15(20)18-12(9-17(21)22)8-13(19)10-16(18)23-14/h8,10-11,19H,2-7,9H2,1H3,(H,21,22)
InChIKeyFWRNQJDZBAYORW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19271764)
ChEBI Ontology
Outgoing Relation(s)
Pestalothiopsone C (CHEBI:213317) is a chromones (CHEBI:23238)
IUPAC Name 
2-(2-heptyl-7-hydroxy-4-oxochromen-5-yl)acetic acid
Manual XrefsDatabases
24624990ChemSpider