| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:09 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O5 |
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| Molecular Mass | 305.1012 |
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| SMILES | O=C1NC(=NC(Cc2ccccc2)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | SDTWDGAHFVRRCZ-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 | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdiazinanesdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundspyrimidones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compound1,3-diazinaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativescarbonic acid derivativeazacycleorganic 1,3-dipolar compoundcarboximidamidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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