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(Q81984892)
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2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
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
cyclofarnesoid
1 reference
based on heuristic
inferred from SMILES
mass
206.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O
0 references
canonical SMILES
O=CC(=CCC1=C(C)CCCC1(C)C)C
0 references
found in taxon
Valeriana officinalis
1 reference
stated in
Comparison of Headspace SPME with Hydrodistillation and SFE for Analysis of the Volatile Components of the Roots of Valeriana officinalis var. latifolia
Identifiers
InChI
InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3
0 references
InChIKey
FJCQUJKUMKZEMH-UHFFFAOYSA-N
0 references
CAS Registry Number
3155-71-3
1 reference
InChIKey
FJCQUJKUMKZEMH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3155-71-3
PubChem CID
102375
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FJCQUJKUMKZEMH-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL110933
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FJCQUJKUMKZEMH-UHFFFAOYSA-N
UniChem compound ID
27147537
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID9052000
1 reference
matched by identifier from
InChIKey
InChIKey
FJCQUJKUMKZEMH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7030563
0 references
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