| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:44 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO4 |
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| Molecular Mass | 265.1314 |
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| SMILES | CC(C(=O)O)c1cc(C(N)=O)c(O)c(C(C)(C)C)c1 |
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| InChI Key | MFGVEJODPZNYBT-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 | benzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenolsphenylpropanesprimary carboxylic acid amidessalicylamidesvinylogous acids |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativebenzamidephenylpropaneorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboxamide groupsalicylamidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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