| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:10 UTC |
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| Update Date | 2025-03-25 00:57:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224815 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O2 |
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| Molecular Mass | 208.1212 |
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| SMILES | NCCCC(C(=O)O)c1ccccc1N |
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| InChI Key | XJNYBSSTNJYRES-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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