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CHEBI:138049 - guaia-4,6-diene
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ChEBI Name
guaia-4,6-diene
ChEBI ID
CHEBI:138049
Definition
A bicyclic sesquiterpene that is 1,2,6,7,8,8a-hexahydroazulene carrying an isopropyl substituent at position 5 as well as two methyl substituents at positions 5 and 8.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C15H24
Net Charge
0
Average Mass
204.352
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-11,14H,5-8H2,1-4H3
InChIKey
HLXDFKWNOTZIEI-UHFFFAOYSA-N
SMILES
C=12C(CCC1C)C(CCC(=C2)C(C)C)C
Metabolite of Species
Details
Xanthium strumarium
(NCBI:txid318068)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
guaia-4,6-diene (
CHEBI:138049
)
has role
plant metabolite (
CHEBI:76924
)
guaia-4,6-diene (
CHEBI:138049
)
is a
carbobicyclic compound (
CHEBI:36785
)
guaia-4,6-diene (
CHEBI:138049
)
is a
polycyclic olefin (
CHEBI:35714
)
guaia-4,6-diene (
CHEBI:138049
)
is a
sesquiterpene (
CHEBI:35189
)
IUPAC Name
3,8-dimethyl-5-(propan-2-yl)-1,2,6,7,8,8a-hexahydroazulene
Synonyms
Sources
5-isopropyl-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulene
ChEBI
guaia-4,6-diene
UniProt
Manual Xref
Database
CPD-20225
MetaCyc
View more database links
Citation
Type
Source
26858282
PubMed citation
SUBMITTER
Last Modified
16 October 2017