CHEBI:171770 - Isobornyl isobutyrate

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ChEBI Name Isobornyl isobutyrate
ChEBI ID CHEBI:171770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H24O2
Net Charge 0
Average Mass 224.344
Monoisotopic Mass 224.17763
InChI InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1
InChIKey KRKIAJBQOUBNSE-GYSYKLTISA-N
SMILES O([C@H]1[C@]2(C([C@@](C1)(CC2)[H])(C)C)C)C(=O)C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Isobornyl isobutyrate (CHEBI:171770) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Manual Xref Database
152187 ChemSpider
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Registry Number Type Source
85586-67-0 CAS Registry Number ChemIDplus