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(Q105224230)
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English
4-(2alpha,6,6-Trimethyl-2beta,4beta-dihydroxycyclohexylidene)-3-butene-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5-Dihydroxy-6,7-megastigmadien-9-one
1 reference
based on heuristic
inferred from SMILES
mass
224.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Grasshopper ketone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₀O₃
0 references
canonical SMILES
O=C(C=C=C1C(O)(C)CC(O)CC1(C)C)C
0 references
isomeric SMILES
CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O
0 references
found in taxon
Chenopodium album
1 reference
stated in
Isolation and Phytotoxicity of Apocarotenoids fromChenopodiumalbum
Identifiers
InChI
InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13-/m0/s1
0 references
InChIKey
QMXLZUOHZGYGDY-HNGKIQHISA-N
0 references
PubChem CID
13922640
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
55746674
1 reference
stated in
UniChem
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