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VNL

Summary
Name:4-HYDROXY-3-METHOXYBENZOATE
Synonyms:vanillate
Formula:C8 H7 O4
Formal charge:-1
Formula weight:167.139 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-hydroxy-3-methoxybenzoate
OpenEye OEToolkits1.7.04-hydroxy-3-methoxy-benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-]C(=O)c1cc(OC)c(O)cc1
SMILES_CANONICALCACTVS3.370COc1cc(ccc1O)C([O-])=O
SMILESCACTVS3.370COc1cc(ccc1O)C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cc(ccc1O)C(=O)[O-]
SMILESOpenEye OEToolkits1.7.0COc1cc(ccc1O)C(=O)[O-]
InChIInChI1.03InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
InChIKeyInChI1.03WKOLLVMJNQIZCI-UHFFFAOYSA-M

229183

PDB entries from 2024-12-18

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