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CHEBI:87716 - (−)-dihydroedulan II

ChEBI IDCHEBI:87716
ChEBI Name(−)-dihydroedulan II
Stars
ASCII Name(-)-dihydroedulan II
DefinitionAn organic heterobicyclic compound that is 3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran substituted by methyl groups at positions 2, 5, 5 and 8a respectively.
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC13H22O
Net Charge0
Average Mass194.318
Monoisotopic Mass194.16707
SMILES[H][C@]12CC[C@H](C)O[C@@]1(C)C=CCC2(C)C
InChIInChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13-/m0/s1
InChIKeyIVTQSEFLDHBCDZ-LOWVWBTDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-dihydroedulan II (CHEBI:87716) has role metabolite (CHEBI:25212)
(−)-dihydroedulan II (CHEBI:87716) is a organic heterobicyclic compound (CHEBI:27171)
(−)-dihydroedulan II (CHEBI:87716) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran
Registry NumbersSources
Reaxys:4800259Reaxys
CAS:41678-32-4ChemIDplus