EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191050 - 6h-dibenzo[b,d]pyran, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6ar,10ar)-

Default Structure
ChEBI IDCHEBI:191050
ChEBI Name6h-dibenzo[b,d]pyran, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6ar,10ar)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O2
Net Charge0
Average Mass384.604
Monoisotopic Mass384.30283
SMILES[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(C(C)(C)CCCCCC)cc(OC)c12
InChIInChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1
InChIKeySUFMHSFGODDLKI-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
6h-dibenzo[b,d]pyran, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6ar,10ar)- (CHEBI:191050) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
Manual XrefsDatabases
4470734ChemSpider