| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:53 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217239 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12NO3+ |
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| Molecular Mass | 194.0812 |
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| SMILES | C[N+](=O)C(CC(=O)O)c1ccccc1 |
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| InChI Key | PQEAKJKLESZJTD-UHFFFAOYSA-O |
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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 | aminoxidesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compound |
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