| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:45 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166503 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | CC(=O)Nc1cccc(C(O)CC(=O)C(=O)O)c1 |
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| InChI Key | JJMOUVISUDNLLJ-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidn-acetylarylaminen-arylamidealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundacetamidealcoholacetanilidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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