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(Q104992190)
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English
(1E,4E)-5-[(3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-2,3-dihydro-1-benzofuran-6-yl]penta-1,4-diene-1-sulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[3-(Hydroxymethyl)-5-(3-hydroxyprop-1-enyl)-4-methoxy-2,3-dihydro-1-benzofuran-6-yl]penta-1,4-diene-1-sulfonic acid
1 reference
based on heuristic
inferred from SMILES
mass
382.108624044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O₇S
0 references
canonical SMILES
O=S(=O)(O)C=CCC=CC1=CC=2OCC(C2C(OC)=C1C=CCO)CO
0 references
isomeric SMILES
COc1c(/C=C/CO)c(/C=C/C/C=C/S(=O)(=O)O)cc2c1[C@@H](CO)CO2
0 references
found in taxon
Celtis australis
1 reference
stated in
Celtisanin, a novel sulphonated phenolic from Celtis australis L. fruits.
Identifiers
InChI
InChI=1S/C18H22O7S/c1-24-18-15(7-5-8-19)13(6-3-2-4-9-26(21,22)23)10-16-17(18)14(11-20)12-25-16/h3-7,9-10,14,19-20H,2,8,11-12H2,1H3,(H,21,22,23)/b6-3+,7-5+,9-4+/t14-/m0/s1
0 references
InChIKey
FADQOBMTUJMAHP-VPZVBVKLSA-N
0 references
PubChem CID
163185277
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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