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CHEBI:178176 - Peperinic acid

ChEBI IDCHEBI:178176
ChEBI NamePeperinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESCC1=C2CCC(C)CC2(O)OC1=O
InChIInChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
InChIKeyLBNWZGLSMCTAQB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Peperinic acid (CHEBI:178176) is a benzofurans (CHEBI:35259)
IUPAC Name 
7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzouran-2-one
Manual XrefsDatabases
HMDB0038181HMDB
137562ChemSpider
Registry NumbersSources
CAS:514-93-2ChemIDplus