| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:07 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | O=C(CO)NCCC(=O)NCc1ccccc1 |
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| InChI Key | HJXDQUBNSSGESM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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