| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:27 UTC |
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| Update Date | 2025-03-21 18:29:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077664 |
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| Frequency | 37.8 |
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| Structure | |
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| Chemical Formula | C19H29N3O7 |
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| Molecular Mass | 411.2006 |
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| SMILES | NC(CCCc1c(O)cc(CCC(N)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | ULYLVZULQHIGSH-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalpha-amino acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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