| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:21 UTC |
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| Update Date | 2025-03-25 00:52:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192876 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4 |
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| Molecular Mass | 316.1423 |
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| SMILES | CCCCC(O)=NC(Cc1c[nH]c(=O)c2ccccc12)C(=O)O |
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| InChI Key | GHJRSPRMKJFXAV-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundspyridinones |
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| Substituents | carboximidic acidcarbonyl grouplactamcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoquinoloneazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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