| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:42 UTC |
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| Update Date | 2025-03-25 00:46:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N2O10P2+ |
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| Molecular Mass | 413.0509 |
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| SMILES | Cc1cc(C(N)=O)c[n+](C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c1 |
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| InChI Key | SBBSXYBUYFQCBG-UHFFFAOYSA-O |
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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 | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatepolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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