| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:28 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042018 |
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| Frequency | 81.5 |
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| Structure | |
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| Chemical Formula | C10H7NO2 |
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| Molecular Mass | 173.0477 |
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| SMILES | O=C(O)c1cncc2ccccc12 |
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| InChI Key | MCVMLYSLPCECGO-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidazacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyridine carboxylic acidorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
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