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(Q105313648)
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English
2,4-Dihydroxy-3-[6-(1-methylethenyl)-3-methyl-2-cyclohexenyl]-6-pentylbenzoic acid
group of stereoisomers with the chemical formula C₂₂H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
menthane monoterpenoids
1 reference
inferred from
menthane monoterpenoids
mass
358.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₄
0 references
canonical SMILES
O=C(O)C1=C(O)C(=C(O)C=C1CCCCC)C2C=C(C)CCC2C(=C)C
0 references
found in taxon
Cannabis sativa
2 references
stated in
Cannabidiolic-acid synthase, the chemotype-determining enzyme in the fiber-type Cannabis sativa.
stated in
[A sedative active principle from the German common hemp (Cannabis sativa). I]
Identifiers
InChI
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)
0 references
InChIKey
WVOLTBSCXRRQFR-UHFFFAOYSA-N
0 references
PubChem CID
4486399
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WVOLTBSCXRRQFR-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL16769848
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WVOLTBSCXRRQFR-UHFFFAOYSA-N
UniChem compound ID
32028333
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0249587
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WVOLTBSCXRRQFR-UHFFFAOYSA-N
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