| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | NS(=O)(=O)c1ccc2c(c1)OCCC2=O |
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| InChI Key | WVOBLQADJJVXPB-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidesoxacyclic compounds |
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| Substituents | organosulfonic acid or derivativesetheraryl alkyl ketonealkyl aryl etherorganosulfur compoundketoneorganosulfonic acid amideorganic oxidechromonearomatic heteropolycyclic compoundaminosulfonyl compoundoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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