| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:43 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClN3O3S |
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| Molecular Mass | 275.0131 |
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| SMILES | NC1CNc2cc(Cl)c(S(N)(=O)=O)cc2C1=O |
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| InChI Key | MFAAKDCBFQHIEE-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl alkyl ketonesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativeshydroquinolinesmonoalkylaminesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativesaryl alkyl ketoneorganochlorideorganosulfur compoundorganohalogen compoundketoneorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtetrahydroquinolinearyl chloridevinylogous amidetetrahydroquinoloneazacycleaminosulfonyl compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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