| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:41 UTC |
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| Update Date | 2025-03-25 00:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O13P2 |
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| Molecular Mass | 537.055 |
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| SMILES | Cc1ncc(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)c(C=O)c1O |
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| InChI Key | SOJRADJQVBGYLO-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 | 2-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridinecarboxylic acids and derivativespyridoxals and derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundpentose phosphatepolyhalopyridinepyrimidonepyrimidineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholpyridoxalvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydeorganic pyrophosphateoxacyclevinylogous acidpyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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