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(Q105116942)
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English
N-[2-[3-hydroxy-4-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
group of stereoisomers with the chemical formula C₂₂H₃₁NO₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
phenethylamine alkaloid
1 reference
inferred from
phenethylamine alkaloid
mass
437.18720871199986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₁NO₆S
0 references
canonical SMILES
CC(C)=CC(O)CC(C)=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1O
0 references
Identifiers
InChI
InChI=1S/C22H31NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,8-9,12-13,15,19,24-25H,7,10-11,14H2,1-4H3,(H,23,26)
0 references
InChIKey
IOVSDORWALQVLD-UHFFFAOYSA-N
0 references
PubChem CID
163047113
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IOVSDORWALQVLD-UHFFFAOYSA-N
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