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CHEBI:185885 - Norecasantalic acid

ChEBI IDCHEBI:185885
ChEBI NameNorecasantalic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O2
Net Charge0
Average Mass180.247
Monoisotopic Mass180.11503
SMILESCC1(CC(=O)O)C2CC3C(C2)C31C
InChIInChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyLDSSHHGVKDZTIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Norecasantalic acid (CHEBI:185885) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)acetic acid
Manual XrefsDatabases
35014261ChemSpider
HMDB0036817HMDB