CHEBI:177515 - arteflene

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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 arteflene
ChEBI ID CHEBI:177515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18F6O3
Net Charge 0
Average Mass 408.340
Monoisotopic Mass 408.11601
InChI InChI=1S/C19H18F6O3/c1-10-15(26)8-13-9-16(10)27-28-17(13,2)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,16H,8-9H2,1-2H3/b6-5-/t10-,13+,16+,17+/m1/s1
InChIKey LRTRTVPZZJAADL-DAHZFVMQSA-N
SMILES FC(F)(F)C1=C(/C=C\[C@@]2(OO[C@]3(C[C@@]2(CC(=O)[C@H]3C)[H])[H])C)C=CC(=C1)C(F)(F)F
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing arteflene (CHEBI:177515) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name
(1S,4R,5R,8S)-4-[(Z)-2-[2,4-bis(triluoromethyl)phenyl]ethenyl]-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonan-7-one
Manual Xrefs Databases
4940803 ChemSpider
D02989 KEGG DRUG
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Registry Number Type Source
123407-36-3 CAS Registry Number ChemIDplus