| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153339 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5 |
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| Molecular Mass | 239.0794 |
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| SMILES | COc1ccc(NC=O)c(CC(O)C(=O)O)c1 |
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| InChI Key | BPUVHDJMKILAFC-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanilidesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidn-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholhydroxy acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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