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CHEBI:176762 - Khellactone, Cis-(-)-

ChEBI IDCHEBI:176762
ChEBI NameKhellactone, Cis-(-)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@@H]1O
InChIInChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1
InChIKeyHKXQUNNSKMWIKJ-AAEUAGOBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
Khellactone, Cis-(-)- (CHEBI:176762) is a coumarins (CHEBI:23403)
IUPAC Name 
(9S,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-]chromen-2-one
Manual XrefsDatabases
9272490ChemSpider
Registry NumbersSources
CAS:54712-23-1ChemIDplus