| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:30 UTC |
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| Update Date | 2025-03-25 00:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N2O6 |
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| Molecular Mass | 344.1008 |
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| SMILES | NC(Cc1ccc(Oc2ccc3c(c2)OC(O)C(=O)N3)cc1)C(=O)O |
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| InChI Key | JFVCTZAOSHUGHI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzomorpholinesbenzoxazinonescarbonyl compoundscarboxylic acidsdiarylethershemiacetalshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acid3-phenylpropanoic-acidbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalorganoheterocyclic compoundamphetamine or derivativesazacyclebenzoxazinecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinonephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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