| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:58 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O5S |
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| Molecular Mass | 228.0092 |
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| SMILES | O=C1CCOc2cc(S(=O)(=O)O)ccc21 |
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| InChI Key | PJNPSCWGGPCTHH-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 | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersaryl alkyl ketonesarylsulfonic acids and derivativesbenzenoidshydrocarbon derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesetheraryl alkyl ketoneorganosulfonic acidalkyl aryl etherorganosulfur compoundketoneorganic oxidechromonearomatic heteropolycyclic compound1-sulfo,2-unsubstituted aromatic compoundoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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