| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:33 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H5NO2 |
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| Molecular Mass | 171.032 |
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| SMILES | O=C1Oc2cccc3cncc1c23 |
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| InChI Key | KOAFYQNGSMNNBB-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 | azacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridine-3-carboxylic acidspyridines and derivatives |
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| Substituents | azacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyridine carboxylic acidorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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