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(Q104400537)
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English
(4R)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-Epiblumenol B
1 reference
based on heuristic
inferred from SMILES
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7,8-dihydrovomifoliol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(S)-4-Hydroxy-4-((S)-3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
1 reference
based on heuristic
inferred from InChI
Blumenol B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂O₃
0 references
canonical SMILES
O=C1C=C(C)C(O)(CCC(O)C)C(C)(C)C1
0 references
isomeric SMILES
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O
0 references
found in taxon
Casearia sylvestris
1 reference
stated in
Two new C(13) nor-isoprenoids from the leaves of Casearia sylvestris.
Scorodocarpus borneensis
1 reference
stated in
Megastigmanes and flavonoids from the leaves of Scorodocarpus borneensis
Vitis vinifera
1 reference
stated in
Norisoprenoids in Vitis vinifera White Wine Grapes and the Identification of a Precursor of Damascenone in These Fruits
Identifiers
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m0/s1
0 references
InChIKey
CWOFGGNDZOPNFG-GWCFXTLKSA-N
0 references
PubChem CID
25755221
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CWOFGGNDZOPNFG-GWCFXTLKSA-N
UniChem compound ID
8857259
1 reference
stated in
UniChem
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