| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:08 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O12P2 |
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| Molecular Mass | 446.0491 |
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| SMILES | NC(Cc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c1)C(=O)O |
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| InChI Key | ZODSHBGTRMFDGV-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatealpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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