| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:55 UTC |
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| Update Date | 2025-03-21 17:58:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012998 |
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| Frequency | 346.9 |
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| Structure | |
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| Chemical Formula | C17H20N2O8 |
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| Molecular Mass | 380.122 |
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| SMILES | NC(Cc1c(C2OC(C(=O)O)C(O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | VBGRWAFUHNCZBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclepyranpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound |
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