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(Q104958408)
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English
(3S)-3alpha-Hydroxy-4beta-(1-methylethenyl)-1-cyclohexene-1-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-p-mentha-1,8-dien-7-al
1 reference
based on heuristic
inferred from SMILES
mass
166.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-Hydroxyperillaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄O₂
0 references
canonical SMILES
O=CC1=CC(O)C(C(=C)C)CC1
0 references
isomeric SMILES
C=C(C)[C@H]1CCC(C=O)=C[C@@H]1O
0 references
found in taxon
Perilla frutescens
2 references
stated in
An oxidative metabolite of perillaldehyde from Perilla frutescens
stated in
Anti-inflammatory constituents from Perilla frutescens on lipopolysaccharide-stimulated RAW264.7 cells
Identifiers
InChI
InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-6,9-10,12H,1,3-4H2,2H3/t9-,10+/m1/s1
0 references
InChIKey
CGYLWHVYZDSTDR-ZJUUUORDSA-N
0 references
CAS Registry Number
182937-26-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10725727
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CGYLWHVYZDSTDR-ZJUUUORDSA-N
UniChem compound ID
34294720
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601144148
1 reference
matched by identifier from
InChIKey
InChIKey
CGYLWHVYZDSTDR-ZJUUUORDSA-N
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