| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:55 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO6 |
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| Molecular Mass | 309.1212 |
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| SMILES | Cc1ccc(O)c(CCC(O)=NCC(=O)O)c1CCC(=O)O |
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| InChI Key | UXLGTZJLDNJIGK-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 amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspara cresolspropargyl-type 1,3-dipolar organic compoundstoluenes |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidep-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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