| 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 | DMID02186944 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO4S |
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| Molecular Mass | 275.0252 |
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| SMILES | NS(=O)(=O)c1ccc2c(c1)oc(=O)c1ccccc12 |
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| InChI Key | BETOHZDFHFHGRT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransaminosulfonyl compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamidesoxacyclic compoundspyranones and derivatives |
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| Substituents | organosulfonic acid or derivatives1-benzopyranorganosulfur compoundorganosulfonic acid amidelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranaminosulfonyl compoundheteroaromatic compoundisocoumarincoumarinoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyran2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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