| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:12 UTC |
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| Update Date | 2025-03-25 00:57:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | NCCc1cc(O)c(O)cc1CC(O)C(=O)O |
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| InChI Key | MWOLMCTYKPEDBC-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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