EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182247 - (3R)-4alpha,4Aalpha-Dimethyl-3beta,6beta-dihydroxy-1,2,3,4,4a,5,6,7-octahydro-6alpha-isopropenylnaphthalen-7-one

ChEBI IDCHEBI:182247
ChEBI Name(3R)-4alpha,4Aalpha-Dimethyl-3beta,6beta-dihydroxy-1,2,3,4,4a,5,6,7-octahydro-6alpha-isopropenylnaphthalen-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C)[C@@]1(O)C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H22O3/c1-9(2)15(18)8-14(4)10(3)12(16)6-5-11(14)7-13(15)17/h7,10,12,16,18H,1,5-6,8H2,2-4H3/t10-,12+,14+,15-/m0/s1
InChIKeySFNQVDIXXKZSCB-BTQDYEIMSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-4alpha,4Aalpha-Dimethyl-3beta,6beta-dihydroxy-1,2,3,4,4a,5,6,7-octahydro-6alpha-isopropenylnaphthalen-7-one (CHEBI:182247) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,4aR,5R,6R)-3,6-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Manual XrefsDatabases
23550714ChemSpider