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(Q104401414)
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English
3'-Benzoylsalicin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[3,5-Dihydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxan-4-yl] benzoate
1 reference
based on heuristic
inferred from SMILES
mass
390.131467664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂O₈
0 references
canonical SMILES
O=C(OC1C(O)C(OC=2C=CC=CC2CO)OC(CO)C1O)C=3C=CC=CC3
0 references
isomeric SMILES
O=C(O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2CO)O[C@H](CO)[C@H]1O)c1ccccc1
0 references
found in taxon
Itoa orientalis
1 reference
stated in
Itosides J-N from Itoa orientalis and structure - anti-COX-2 activity relationship of phenolic glycosides
Populus tremuloides
1 reference
stated in
Cytotoxic phenolic compounds in leaf buds of Populus tremuloides
Identifiers
InChI
InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)26-20-17(24)18(16(23)15(11-22)27-20)28-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17-,18+,20-/m1/s1
0 references
InChIKey
WUOFKHTVWRRLNC-YFYQMDMQSA-N
0 references
PubChem CID
38361552
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
137519
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
409377
1 reference
stated in
UniChem
KNApSAcK ID
C00055759
1 reference
based on heuristic
inferred from InChIKey
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