EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177515 - arteflene

ChEBI IDCHEBI:177515
ChEBI Namearteflene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18F6O3
Net Charge0
Average Mass408.338
Monoisotopic Mass408.11601
SMILES[H][C@]12CC(=O)[C@@H](C)[C@]([H])(C1)OO[C@@]2(C)/C=C\c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=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
InChIKeyLRTRTVPZZJAADL-DAHZFVMQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4940803ChemSpider
D02989KEGG DRUG
Registry NumbersSources
CAS:123407-36-3ChemIDplus