| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12N2O4 |
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| Molecular Mass | 296.0797 |
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| SMILES | O=C(O)c1cc(Nc2ccnc3cc(O)ccc23)ccc1O |
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| InChI Key | SSMINHBAPKSSSN-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessalicylic acidssecondary aminesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidpolyhalopyridinebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinebenzoic acidazacycleheteroaromatic compoundhydroxypyridinebenzoic acid or derivativessecondary aminehydroxybenzoic acidvinylogous acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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