| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:01 UTC |
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| Update Date | 2025-03-21 17:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022055 |
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| Frequency | 180.2 |
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| Structure | |
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| Chemical Formula | C23H31NO2 |
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| Molecular Mass | 353.2355 |
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| SMILES | CCCCCCCCc1ccc(Nc2ccc(CCC(=O)O)cc2)cc1 |
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| InChI Key | GTDJCDQTVLFNAK-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 compoundssecondary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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