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(Q83070445)
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English
Azulene, 1,4-dimethyl-7-(1-methylethenyl)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
196.125200512
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆
0 references
canonical SMILES
C=C(C1=CC=C(C2=CC=C(C2=C1)C)C)C
0 references
found in taxon
Lactarius deliciosus
2 references
stated in
The sesquiterpenes of Lactarius deliciosus and Lactarius deterrimus
stated in
Über die Farbstoffe des echten Reizkers (Lactarius deliciosus L.) (II. Mitteil.)
Lactarius deterrimus
1 reference
stated in
The sesquiterpenes of Lactarius deliciosus and Lactarius deterrimus
Identifiers
InChI
InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
0 references
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
0 references
CAS Registry Number
489-85-0
1 reference
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=489-85-0
PubChem CID
3083592
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
ChEBI ID
173540
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
UniChem compound ID
32006371
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90197635
1 reference
matched by identifier from
InChIKey
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50120126
0 references
Human Metabolome Database ID
HMDB0038162
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
KNApSAcK ID
C00020360
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
UNII
GD5E5UK4YX
1 reference
matched by identifier from
InChIKey
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
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