| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:33:50 UTC |
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| Update Date | 2025-03-21 17:56:23 UTC |
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| HMDB ID | HMDB0033968 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001064 |
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| Name | Methyl benzoate |
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| Frequency | 5452.2 |
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| Structure | |
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| Chemical Formula | C8H8O2 |
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| Molecular Mass | 136.0524 |
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| SMILES | COC(=O)c1ccccc1 |
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| InChI Key | QPJVMBTYPHYUOC-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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