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(Q105009298)
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English
(1S,2S)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-1,2,3-propanetriol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
threo-1-C-Syringylglycerol
1 reference
based on heuristic
inferred from SMILES
mass
244.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1,2,3-Propanetriol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, (1R,2R)-rel-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₆O₆
0 references
canonical SMILES
OC1=C(OC)C=C(C=C1OC)C(O)C(O)CO
0 references
isomeric SMILES
COc1cc([C@H](O)[C@@H](O)CO)cc(OC)c1O
0 references
found in taxon
Coix lacryma-jobi
1 reference
stated in
Phenolic compounds from Coix lachryma-jobi var. Ma-yuen
Identifiers
InChI
InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3/t7-,10-/m0/s1
0 references
InChIKey
GIZSHQYTTBQKOQ-XVKPBYJWSA-N
0 references
CAS Registry Number
121748-11-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
75492726
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GIZSHQYTTBQKOQ-XVKPBYJWSA-N
UniChem compound ID
80417132
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801314406
1 reference
matched by identifier from
InChIKey
InChIKey
GIZSHQYTTBQKOQ-XVKPBYJWSA-N
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