| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:34 UTC |
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| Update Date | 2025-03-25 00:48:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClNO3S |
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| Molecular Mass | 247.007 |
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| SMILES | CC1Cc2cc(S(N)(=O)=O)c(Cl)cc2O1 |
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| InChI Key | HBYDXSZONRRYQP-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsaryl chloridesbenzenoidshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganosulfonamidesoxacyclic compounds |
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| Substituents | aryl chlorideorganosulfonic acid or derivativesetheraminosulfonyl compoundorganochloridealkyl aryl etherorganosulfur compoundorganohalogen compoundaryl halideorganosulfonic acid amideoxacycleorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundcoumaranorganooxygen compound |
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