| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:20 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130245 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C15H21NO9 |
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| Molecular Mass | 359.1216 |
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| SMILES | NC(Cc1ccc(OC2OC(C(O)O)C(O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | CXAXEBWSYLMEQV-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 heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsamphetamines and derivativescarbonyl compoundscarbonyl hydratescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesalcoholoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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