| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:14 UTC |
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| Update Date | 2025-03-21 18:36:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113330 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | CN(C)CCC(CC(=O)O)c1ccccc1 |
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| InChI Key | SCNMXZZLBUABQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidtertiary aliphatic aminecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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