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(Q105272576)
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English
(5R)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
358.145009552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₆S
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C(OC)=C1)CC(CCCCC)S(=O)(=O)O
0 references
isomeric SMILES
CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)O
0 references
found in taxon
Zingiber officinale
1 reference
stated in
Pharmacognostic studies on ginger and related drugs--part 1: five sulfonated compounds from Zingiberis rhizome (Shokyo)
Identifiers
InChI
InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)/t15-/m1/s1
0 references
InChIKey
UGTSZVWDFDIWIG-OAHLLOKOSA-N
0 references
PubChem CID
154496058
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UGTSZVWDFDIWIG-OAHLLOKOSA-N
UniChem compound ID
153071866
1 reference
stated in
UniChem
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