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CHEBI:207779 - Botrysphone C

ChEBI IDCHEBI:207779
ChEBI NameBotrysphone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H11ClO4
Net Charge0
Average Mass206.625
Monoisotopic Mass206.03459
SMILESCCOC1=CC(=O)[C@H](O)[C@H](O)[C@@H]1Cl
InChIInChI=1S/C8H11ClO4/c1-2-13-5-3-4(10)7(11)8(12)6(5)9/h3,6-8,11-12H,2H2,1H3/t6-,7+,8-/m1/s1
InChIKeyJJILKKLTNUEUTF-GJMOJQLCSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphone C (CHEBI:207779) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5S,6R)-4-chloro-3-ethoxy-5,6-dihydroxycyclohex-2-en-1-one
Manual XrefsDatabases
78441646ChemSpider