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CHEBI:169131 - Chrycolide

ChEBI IDCHEBI:169131
ChEBI NameChrycolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H8O3S
Net Charge0
Average Mass232.260
Monoisotopic Mass232.01942
SMILESO=C1OC(c2cccs2)c2cccc(O)c21
InChIInChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H
InChIKeyCLGIBOHWUJNNKL-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)
Chrycolide (CHEBI:169131) is a benzofurans (CHEBI:35259)
IUPAC Name 
7-hydroxy-3-thiophen-2-yl-3H-2-benzouran-1-one
Manual XrefsDatabases
HMDB0035145HMDB
26774554ChemSpider