| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:39 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066088 |
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| Frequency | 46.2 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | O=C(O)CNC(CCCc1ccccc1)C(=O)O |
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| InChI Key | NZKADOVQCFGMHB-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 acidsamino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesecondary amineamino fatty acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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