| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:13 UTC |
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| Update Date | 2025-03-21 18:41:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136830 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | NC(Cc1cncc2ccccc12)C(=O)O |
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| InChI Key | HNFZGXCEZSJVQI-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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