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(Q105115619)
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English
(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptane-3-sulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Shogasulfonic acid C
1 reference
based on heuristic
inferred from SMILES
mass
410.103538664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₈S
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C(O)=C1)CC(CCC2=CC=C(O)C(O)=C2)S(=O)(=O)O
0 references
isomeric SMILES
O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)S(=O)(=O)O
0 references
found in taxon
Zingiber officinale
2 references
stated in
Pharmacognostic studies on ginger and related drugs--part 1: five sulfonated compounds from Zingiberis rhizome (Shokyo)
stated in
Pharmacognostic studies on ginger and related drugs--part 1: five sulfonated compounds from Zingiberis rhizome (Shokyo)
Identifiers
InChI
InChI=1S/C19H22O8S/c20-14(5-1-12-3-7-16(21)18(23)9-12)11-15(28(25,26)27)6-2-13-4-8-17(22)19(24)10-13/h3-4,7-10,15,21-24H,1-2,5-6,11H2,(H,25,26,27)/t15-/m0/s1
0 references
InChIKey
IMDXRLLSWYZMEN-HNNXBMFYSA-N
0 references
PubChem CID
162950940
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IMDXRLLSWYZMEN-HNNXBMFYSA-N
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