CHEBI:182415 - 4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione

ChEBI IDCHEBI:182415
ChEBI Name4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)[C@H]2CCc1cc(O)ccc1C
InChIInChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1
InChIKeyZWXONJFCJAGEBA-BXWFABGCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione (CHEBI:182415) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
(3aS,4S,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Manual XrefsDatabases
13077677ChemSpider
C19944KEGG COMPOUND