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CHEBI:226233 - Cytosporone J

ChEBI IDCHEBI:226233
ChEBI NameCytosporone J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCC(O)CCCCCC1OC(=O)Cc2cc(O)cc(O)c21
InChIInChI=1S/C16H22O5/c1-10(17)5-3-2-4-6-14-16-11(8-15(20)21-14)7-12(18)9-13(16)19/h7,9-10,14,17-19H,2-6,8H2,1H3
InChIKeyLWACOKGHBDKWPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (19762244)
ChEBI Ontology
Outgoing Relation(s)
Cytosporone J (CHEBI:226233) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
6,8-dihydroxy-1-(6-hydroxyheptyl)-1,4-dihydroisochromen-3-one
Manual XrefsDatabases
24646430ChemSpider