EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198422 - 4-Hydroxy-1,8-epi-isotenerone

ChEBI IDCHEBI:198422
ChEBI Name4-Hydroxy-1,8-epi-isotenerone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C1C2CCC13[C@H](C)C(=O)[C@@H](O)[C@@H](C)[C@]3(C)C2
InChIInChI=1S/C15H22O2/c1-8-11-5-6-15(8)10(3)13(17)12(16)9(2)14(15,4)7-11/h9-12,16H,1,5-7H2,2-4H3/t9-,10-,11?,12+,14+,15?/m1/s1
InChIKeyQDTSSRCDTBHKAG-CMYMSZEASA-N
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-1,8-epi-isotenerone (CHEBI:198422) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(S,2S,9S,10S)-hydroxy-2,9,10-trimethyl-7-methylidene-octahydro-1H-2,4a-methanonapthalen-1-one
Manual XrefsDatabases
78442456ChemSpider