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(Q125033950)
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English
compound 4 (s6590)
No description defined
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R)-4-[(3S)-3,4-dihydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂O₃
0 references
canonical SMILES
O=C1C=C(C)C(CCC(O)CO)C(C)(C)C1
0 references
isomeric SMILES
CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](O)CO
0 references
found in taxon
Opuntia humifusa
1 reference
stated in
Megastigmane Derivatives from the Cladodes of Opuntia humifusa and Their Nitric Oxide Inhibitory Activities in Macrophages
Opuntia vulgaris
1 reference
stated in
Megastigmane Derivatives from the Cladodes of Opuntia humifusa and Their Nitric Oxide Inhibitory Activities in Macrophages
Opuntia humifusa humifusa
1 reference
stated in
Megastigmane Derivatives from the Cladodes of Opuntia humifusa and Their Nitric Oxide Inhibitory Activities in Macrophages
Identifiers
InChI
InChI=1S/C13H22O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h6,10,12,14-15H,4-5,7-8H2,1-3H3/t10-,12+/m1/s1
0 references
InChIKey
RZMRKQQJGBTKOK-PWSUYJOCSA-N
0 references
PubChem CID
156011196
2 references
stated in
PubChem
retrieved
26 April 2024
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RZMRKQQJGBTKOK-PWSUYJOCSA-N
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