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(Q105234203)
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English
2-[(2S,4aR)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Pterodonoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CC2=C(C(=O)CCC2(C)CC1)C
0 references
isomeric SMILES
C=C(C(=O)O)[C@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1
0 references
found in taxon
Laggera alata
1 reference
stated in
Eudesmane and megastigmane glucosides from Laggera alata
Identifiers
InChI
InChI=1S/C15H20O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h11H,1,4-8H2,2-3H3,(H,17,18)/t11-,15+/m0/s1
0 references
InChIKey
RDGFGQJFNSCICW-XHDPSFHLSA-N
0 references
PubChem CID
163016097
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RDGFGQJFNSCICW-XHDPSFHLSA-N
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