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(Q104402823)
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English
5-[(1S)-2,6,6-Trimethyl-4-oxo-1-hydroxy-2-cyclohexenyl]-3-methyl-2,4-pentadien-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Hydroxy-4-(5-hydroxy-3-methylpenta-1,3-dienyl)-3,5,5-trimethylcyclohex-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Abscisic alcohol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1C=C(C)C(O)(C=CC(=CCO)C)C(C)(C)C1
0 references
isomeric SMILES
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO
0 references
found in taxon
starfruit
1 reference
stated in
Dihydroabscisic alcohol from Averrhoa carambola fruit
Chenopodium album
1 reference
stated in
Isolation and Phytotoxicity of Apocarotenoids fromChenopodiumalbum
Identifiers
InChI
InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1
0 references
InChIKey
GRJFTUSJGMRSSJ-SQGBXOFWSA-N
0 references
CAS Registry Number
113472-20-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44584347
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GRJFTUSJGMRSSJ-SQGBXOFWSA-N
UniChem compound ID
311507
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301114396
1 reference
matched by identifier from
InChIKey
InChIKey
GRJFTUSJGMRSSJ-SQGBXOFWSA-N
KNApSAcK ID
C00054891
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GRJFTUSJGMRSSJ-SQGBXOFWSA-N
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