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(Q81985336)
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English
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
192.15141526
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O
0 references
canonical SMILES
O=C(C=CC)C1=C(C)CCCC1(C)C
0 references
found in taxon
Baccharis dracunculifolia
1 reference
stated in
Constituents of Brazilian Vassoura oil
Scutellaria baicalensis
1 reference
stated in
Essential oil of Scutellaria baicalensis G.
Identifiers
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3
0 references
InChIKey
BGTBFNDXYDYBEY-UHFFFAOYSA-N
0 references
CAS Registry Number
35044-68-9
1 reference
InChIKey
BGTBFNDXYDYBEY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=35044-68-9
PubChem CID
32052
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BGTBFNDXYDYBEY-UHFFFAOYSA-N
UniChem compound ID
26612753
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID1067885
1 reference
matched by identifier from
InChIKey
InChIKey
BGTBFNDXYDYBEY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3038935
0 references
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