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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:5550 - guaiazulene
Main
ChEBI Ontology
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ChEBI Name
guaiazulene
ChEBI ID
CHEBI:5550
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H18
Net Charge
0
Average Mass
198.30342
Monoisotopic Mass
198.14085
InChI
InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
InChIKey
FWKQNCXZGNBPFD-UHFFFAOYSA-N
SMILES
CC(C)c1ccc(C)c2ccc(C)c2c1
ChEBI Ontology
Outgoing
guaiazulene (
CHEBI:5550
)
has parent hydride
guaiane (
CHEBI:36524
)
guaiazulene (
CHEBI:5550
)
is a
sesquiterpene (
CHEBI:35189
)
IUPAC Name
1,4-dimethyl-7-(propan-2-yl)azulene
Synonyms
Sources
1,4-dimethyl-7-(1-methylethyl)azulene
ChemIDplus
1,4-Dimethyl-7-isopropylazulene
KEGG COMPOUND
3,8-dimethyl-5-(2-propyl)azulene
ChemIDplus
7-isopropyl-1,4-dimethylazulene
IUPAC
Guaiazulene
KEGG COMPOUND
Manual Xrefs
Databases
3272
DrugCentral
C00003138
KNApSAcK
C09675
KEGG COMPOUND
D01037
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
1365001
Beilstein Registry Number
ChemIDplus
489-84-9
CAS Registry Number
ChemIDplus
489-84-9
CAS Registry Number
NIST Chemistry WebBook
Last Modified
22 February 2017