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CHEBI:168857 - Botryodiplodin

ChEBI IDCHEBI:168857
ChEBI NameBotryodiplodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCC(=O)C1COC(O)C1C
InChIInChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3
InChIKeyCLYSZQBIUYRLNX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Botryodiplodin (CHEBI:168857) is a oxolanes (CHEBI:26912)
IUPAC Name 
1-(5-hydroxy-4-methyloxolan-3-yl)ethanone
Manual XrefsDatabases
31076ChemSpider
HMDB0036594HMDB
Registry NumbersSources
CAS:27098-03-9ChemIDplus