CHEBI:189122 - exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate
ChEBI ID CHEBI:189122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H20O2
Net Charge 0
Average Mass 208.301
Monoisotopic Mass 208.14633
InChI InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10?,13+/m0/s1
InChIKey PSGCQDPCAWOCSH-BOURZNODSA-N
SMILES O(C1[C@@]2(C([C@](C1)(CC2)[H])(C)C)C)C(=O)C=C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate (CHEBI:189122) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
Manual Xref Database
83966 ChemSpider
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