| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:13 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N5O3 |
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| Molecular Mass | 305.1488 |
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| SMILES | N=C(N)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2)CC1 |
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| InChI Key | VDKKNABEOUNCLU-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylarylaminesguanidineshippuric acids and derivativeshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenylpiperazinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidguanidineiminebenzoylbenzamideorganic oxidepiperazinetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundazacyclehippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativescarboximidamidecarboxamide groupaminobenzamiden-acylglycinephenylpiperazinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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