| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:51 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O3 |
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| Molecular Mass | 273.1113 |
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| SMILES | O=C1CC(=CC=NC(Cc2ccccc2)C(=O)O)NN1 |
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| InChI Key | PAOJDEPARLUSPP-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid hydrazidescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundspyrazolidinones |
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| Substituents | monocyclic benzene moietycarboxylic acid hydrazidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidepyrazolidinoneorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativespyrazolidineazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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