CHEBI:231288 - 8-Ocimenyl acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 8-Ocimenyl acetate
ChEBI ID CHEBI:231288
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O2
Net Charge 0
Average Mass 194.274
Monoisotopic Mass 194.13068
InChI InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,7-8H,1,6,9H2,2-4H3/b10-7-,11-8+
InChIKey RNKUOBQYBVPNSU-BDLVGCLISA-N
SMILES O(C/C(=C/C/C=C(/C)\C=C)/C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Ocimenyl acetate (CHEBI:231288) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(2E,5Z)-2,6-dimethylocta-2,5,7-trienyl] acetate
Manual Xref Database
19376239 ChemSpider
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