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CHEBI:172047 - (3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone

ChEBI IDCHEBI:172047
ChEBI Name(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESCCCCC1OC(=O)C2CCCCC12
InChIInChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3
InChIKeyTZRMFZSOOVBPPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone (CHEBI:172047) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
3-butyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzouran-1-one
Manual XrefsDatabases
HMDB0034903HMDB
35013794ChemSpider