| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:50 UTC |
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| Update Date | 2025-03-21 18:04:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052422 |
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| Frequency | 70.1 |
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| Structure | |
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| Chemical Formula | C12H8N2O3 |
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| Molecular Mass | 228.0535 |
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| SMILES | O=C(O)c1cc(=O)c2[nH]c3ccccc3c2[nH]1 |
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| InChI Key | KCHMTWAQVDYUGY-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidspyrrolesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidindolepolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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