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CHEBI:172462 - Diplosporin

ChEBI IDCHEBI:172462
ChEBI NameDiplosporin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC[C@@H]1CCc2occ(CO)c(=O)c2[C@H]1O
InChIInChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1
InChIKeyBFQQKLXDPGTJKC-HQJQHLMTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Diplosporin (CHEBI:172462) is a pyranone (CHEBI:37963)
IUPAC Name 
(5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one
Manual XrefsDatabases
114781ChemSpider
Registry NumbersSources
CAS:69199-05-9ChemIDplus