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CHEBI:172073 - (1R,2R,3S,1'R)-Nepetalinic acid

ChEBI IDCHEBI:172073
ChEBI Name(1R,2R,3S,1'R)-Nepetalinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O4
Net Charge0
Average Mass200.234
Monoisotopic Mass200.10486
SMILESCC1CCC(C(C)C(=O)O)C1C(=O)O
InChIInChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOIFCPZGZZQQDNO-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)
(1R,2R,3S,1'R)-Nepetalinic acid (CHEBI:172073) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid
Manual XrefsDatabases
HMDB0034971HMDB
35013806ChemSpider