| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:56 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O12P2 |
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| Molecular Mass | 444.0335 |
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| SMILES | NC(=O)c1ccc(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C(O)C2O)cn1 |
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| InChI Key | RKPDNUKFNINLQS-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 | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcohols |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivative2-heteroaryl carboxamidedialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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