| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:47 UTC |
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| Update Date | 2025-03-25 00:54:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO9 |
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| Molecular Mass | 357.106 |
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| SMILES | NC(Cc1ccc(OC(=O)C2OC(O)C(O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | VSMYKAXXSGLLHV-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 | alpha amino acidsamphetamines and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol estersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundamphetamine or derivativesalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclephenylalanine or derivativesorganic oxygen compoundpyrancarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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