| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:54 UTC |
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| Update Date | 2025-03-21 18:37:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117381 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C16H21N2O9P |
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| Molecular Mass | 416.0985 |
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| SMILES | NC(Cc1c(C2OC(COP(=O)(O)O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | RTRNBLMRUCATFJ-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidpentose phosphateindolepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativedialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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