| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:25 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO3 |
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| Molecular Mass | 259.1208 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1cccc(C(=O)O)c1 |
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| InChI Key | CPYOQDFVWRYYNS-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacyclebenzoylcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
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