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CHEBI:198276 - 2-trans-allyl-3-chloro-l-hydroxy-4-oxo methyl ester

ChEBI IDCHEBI:198276
ChEBI Name2-trans-allyl-3-chloro-l-hydroxy-4-oxo methyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11ClO4
Net Charge0
Average Mass230.647
Monoisotopic Mass230.03459
SMILESC/C=C/C1=CC(=O)[C@H](Cl)[C@]1(O)C(=O)OC
InChIInChI=1S/C10H11ClO4/c1-3-4-6-5-7(12)8(11)10(6,14)9(13)15-2/h3-5,8,14H,1-2H3/b4-3+/t8-,10-/m0/s1
InChIKeyHSATYRFYDXEDDB-PVXSWLFQSA-N
Species of MetaboliteComponentSourceComments
Sporormiella affinis (ncbitaxon:718230) - PubMed (5782455)
ChEBI Ontology
Outgoing Relation(s)
2-trans-allyl-3-chloro-l-hydroxy-4-oxo methyl ester (CHEBI:198276) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
methyl (1R,5R)-5-chloro-1-hydroxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-ene-1-carboxylate
Manual XrefsDatabases
78439579ChemSpider