| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:10 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O9 |
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| Molecular Mass | 356.0856 |
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| SMILES | O=C(O)c1c[nH]c2[nH]cc(OC3OC(CO)C(O)C(O)C3O)c2c1=O |
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| InChI Key | CZSMSIZJHIMXHS-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 | pyrrolopyridines |
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| Subclass | pyrrolopyridines |
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| Direct Parent | pyrrolopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholspyridine-3-carboxylic acidspyrrolessecondary alcoholsvinylogous amidesvinylogous esters |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinemonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholvinylogous amideazacyclepyrrolopyridinevinylogous esterheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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