| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9NO2 |
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| Molecular Mass | 223.0633 |
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| SMILES | O=C(O)c1cc2ccc3ccccc3c2cn1 |
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| InChI Key | WLSANMUBHAPJTQ-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinenaphthaleneorganic oxygen compoundpyridine carboxylic acidisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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