| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:40 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097256 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C15H23N3O4 |
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| Molecular Mass | 309.1689 |
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| SMILES | Nc1ccc(C(=O)OCCNCCCCC(N)C(=O)O)cc1 |
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| InChI Key | YIERKKVWYMMDCM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylfatty acidbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesecondary amineamino fatty acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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