| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31N3O6 |
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| Molecular Mass | 409.2213 |
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| SMILES | NC(CCCc1ccc(CCCC(N)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | GUFUFVCEXMASMA-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 | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidtricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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