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(Q81986438)
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English
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
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mass
210.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₂O₂
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canonical SMILES
O=C1C=C(C)C(CCC(O)C)C(C)(C)C1
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found in taxon
Mangifera indica
1 reference
stated in
Glycosidically-bound aroma volatile compounds in the skin and pulp of ‘Kensington Pride’ mango fruit at different stages of maturity
Nicotiana tabacum
1 reference
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
Identifiers
InChI
InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3
0 references
InChIKey
UEEJDIUOCUCVHN-UHFFFAOYSA-N
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CAS Registry Number
36151-02-7
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PubChem CID
118284
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UEEJDIUOCUCVHN-UHFFFAOYSA-N
UniChem compound ID
33490202
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90865807
1 reference
matched by identifier from
InChIKey
InChIKey
UEEJDIUOCUCVHN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50814174
0 references
KNApSAcK ID
C00062388
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UEEJDIUOCUCVHN-UHFFFAOYSA-N
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