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CHEBI:218097 - Chlorohydroaspyrone A

ChEBI IDCHEBI:218097
ChEBI NameChlorohydroaspyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13ClO4
Net Charge0
Average Mass220.652
Monoisotopic Mass220.05024
SMILESC[C@H](O)[C@H](Cl)C1=C[C@H](O)[C@@H](C)OC1=O
InChIInChI=1S/C9H13ClO4/c1-4(11)8(10)6-3-7(12)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8-/m0/s1
InChIKeyIIYOOZPJDRONSJ-JJJMYNALSA-N
Species of MetaboliteComponentSourceComments
Exophialaspecies (ncbitaxon:1718875) - PubMed (18661951)
ChEBI Ontology
Outgoing Relation(s)
Chlorohydroaspyrone A (CHEBI:218097) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3S)-5-[(1R,2S)-1-chloro-2-hydroxypropyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
24686861ChemSpider