| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:50 UTC |
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| Update Date | 2025-03-21 18:07:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068955 |
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| Frequency | 43.9 |
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| Structure | |
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| Chemical Formula | C18H24N2O8 |
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| Molecular Mass | 396.1533 |
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| SMILES | COc1ccc2[nH]c(C3OC(CO)C(O)C(O)C3O)c(CC(N)C(=O)O)c2c1 |
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| InChI Key | PVDQPSOPKCCJNC-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolemonosaccharidealkyl aryl etherdialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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