| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:56 UTC |
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| Update Date | 2025-03-21 17:56:48 UTC |
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| HMDB ID | HMDB0240266 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003707 |
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| Name | Methyl vanillate |
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| Frequency | 1566.6 |
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| Structure | |
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| Chemical Formula | C9H10O4 |
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| Molecular Mass | 182.0579 |
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| SMILES | COC(=O)c1ccc(O)c(OC)c1 |
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| InChI Key | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol etheretherp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl esterm-methoxybenzoic acid or derivativesmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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