| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:10 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O4 |
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| Molecular Mass | 305.1376 |
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| SMILES | CC(=O)N1CCN(c2cccc(C(=O)NCC(=O)O)c2)CC1 |
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| InChI Key | JBPWPUXIKXNSTL-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 | acetamidesalpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylamineshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenylpiperazinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylbenzamideorganic oxidepiperazinetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundacetamideazacyclehippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativescarboxamide groupaminobenzamiden-acylglycinephenylpiperazinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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