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CHEBI:218838 - Chlorohydroaspyrone B

ChEBI IDCHEBI:218838
ChEBI NameChlorohydroaspyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13ClO4
Net Charge0
Average Mass220.652
Monoisotopic Mass220.05024
SMILESC[C@H](Cl)[C@@H](O)C1=C[C@H](O)[C@@H](C)OC1=O
InChIInChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1
InChIKeyRFRJSDLXLVSACH-UGSJSWHKSA-N
Species of MetaboliteComponentSourceComments
Exophialaspecies (ncbitaxon:1718875) - PubMed (18661951)
ChEBI Ontology
Outgoing Relation(s)
Chlorohydroaspyrone B (CHEBI:218838) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3S)-5-[(1S,2S)-2-chloro-1-hydroxypropyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
24706475ChemSpider