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CHEBI:207765 - Botrysphone A

ChEBI IDCHEBI:207765
ChEBI NameBotrysphone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H9ClO4
Net Charge0
Average Mass192.598
Monoisotopic Mass192.01894
SMILESCOC1=CC(=O)[C@H](O)[C@H](O)[C@@H]1Cl
InChIInChI=1S/C7H9ClO4/c1-12-4-2-3(9)6(10)7(11)5(4)8/h2,5-7,10-11H,1H3/t5-,6+,7-/m1/s1
InChIKeyLYBVDNFLWQEAIC-DSYKOEDSSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphone A (CHEBI:207765) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5S,6R)-4-chloro-5,6-dihydroxy-3-methoxycyclohex-2-en-1-one
Manual XrefsDatabases
78441644ChemSpider