| 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 | DMID02166502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | CC(=O)Nc1cccc(C(O)C(C)C(=O)O)c1 |
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| InChI Key | ZTMCUNCJSPLSIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylamine3-phenylpropanoic-acidn-arylamidecarboxylic acid derivativephenylpropanebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholacetanilidehydroxy acidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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