| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:45 UTC |
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| Update Date | 2025-03-25 00:46:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25N2O9P |
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| Molecular Mass | 444.1298 |
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| SMILES | Cc1cc2[nH]c(C3OC(COP(=O)(O)O)C(O)C3O)c(CC(N)C(=O)O)c2cc1C |
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| InChI Key | ZBSMOAKRGZFQLW-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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