| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:05 UTC |
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| Update Date | 2025-03-21 18:00:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029170 |
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| Frequency | 128.4 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | COc1ccc(NC(C)=O)cc1C(=O)O |
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| InChI Key | QGUFZJOUAUHXSC-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acetylarylamineso-methoxybenzoic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidn-acetylarylaminebenzoyln-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideo-methoxybenzoic acid or derivativesorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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