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(Q105021509)
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English
3-[2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoic acid
group of stereoisomers with the chemical formula C₂₃H₃₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
indole alkaloid
1 reference
inferred from
indole alkaloid
mass
353.235479232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₁NO₂
0 references
canonical SMILES
O=C(O)CCC1C(=C(C)C)CCC(C)C1(C)CC2=CNC=3C=CC=CC32
0 references
Identifiers
InChI
InChI=1S/C23H31NO2/c1-15(2)18-10-9-16(3)23(4,20(18)11-12-22(25)26)13-17-14-24-21-8-6-5-7-19(17)21/h5-8,14,16,20,24H,9-13H2,1-4H3,(H,25,26)
0 references
InChIKey
GVPCTDRGYRLXLX-UHFFFAOYSA-N
0 references
PubChem CID
85432447
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GVPCTDRGYRLXLX-UHFFFAOYSA-N
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