| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:29 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016446 |
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| Frequency | 259.8 |
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| Structure | |
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| Chemical Formula | C12H8N2O2 |
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| Molecular Mass | 212.0586 |
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| SMILES | O=C(O)c1nccc2c1[nH]c1ccccc12 |
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| InChI Key | VNPNEGORDFERGK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | harmala alkaloids |
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| Subclass | harmala alkaloids |
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| Direct Parent | harmala alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsbeta carbolinescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic 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-halopyridineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridineharmanindole or derivativesmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolepyridine carboxylic acidbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundpyridoindole |
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