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(Q82784885)
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English
Benzyl 2,3,6-trimethoxybenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
302.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈O₅
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canonical SMILES
COC1=C(C(=C(C=C1)OC)OC)C(=O)OCC2=CC=CC=C2
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found in taxon
Brickellia veronicifolia
1 reference
stated in
Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum
Brickellia veronicaefolia
1 reference
stated in
Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum
Identifiers
InChI
InChI=1S/C17H18O5/c1-19-13-9-10-14(20-2)16(21-3)15(13)17(18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
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InChIKey
WKTUEASUPBAIPX-UHFFFAOYSA-N
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CAS Registry Number
62458-49-5
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PubChem CID
71386186
1 reference
matched by identifier from
InChIKey
InChIKey
WKTUEASUPBAIPX-UHFFFAOYSA-N
UniChem compound ID
56167841
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20808383
1 reference
matched by identifier from
InChIKey
InChIKey
WKTUEASUPBAIPX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40759126
0 references
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