| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:26 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7 |
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| Molecular Mass | 299.1005 |
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| SMILES | Cc1ncc(CC2OC(O)C(O)C(O)C2O)c(C=O)c1O |
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| InChI Key | XQFWTYCXUIGICT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyridine carboxaldehydessecondary alcoholsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidesaccharideorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundhemiacetal2-halopyridineoxanealcoholazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydeoxacyclevinylogous acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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