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CHEBI:49204 - (+)-guaia-6,9-diene

Default Structure
ChEBI IDCHEBI:49204
ChEBI Name(+)-guaia-6,9-diene
Stars
Last Modified29 July 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC[C@H](C)[C@]1([H])C=C(C(C)C)CC=C2C
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeyRCMUGHFHXFHKNW-QEJZJMRPSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-guaia-6,9-diene (CHEBI:49204) is a (1ξ,4ξ,5ξ)-guaia-6,9-diene (CHEBI:49206)
(+)-guaia-6,9-diene (CHEBI:49204) is enantiomer of (−)-guaia-6,9-diene (CHEBI:49207)
Incoming Relation(s)
(−)-guaia-6,9-diene (CHEBI:49207) is enantiomer of (+)-guaia-6,9-diene (CHEBI:49204)
IUPAC Name 
guaia-6,9-diene
Synonyms  Source
(1S,3aR,8aR)-1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazuleneIUPAC
(1S,3aR,8aR)-7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazuleneIUPAC
UniProt Name  Source
(+)-guaia-6,9-dieneUniProt
Registry NumbersSources
Beilstein:2716394Beilstein