| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:02 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217587 |
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| Frequency | 0.5 |
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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)c1nccc2cc3cc[nH]c3cc12 |
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| InChI Key | UQDVMGWBOUHWMY-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 | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidspyrroles |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidindolepolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridineindole or derivativesmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolepyridine carboxylic acidisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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