| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:41 UTC |
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| Update Date | 2025-03-21 18:03:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042579 |
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| Frequency | 80.2 |
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| Structure | |
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| Chemical Formula | C8H7NO4S |
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| Molecular Mass | 213.0096 |
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| SMILES | COc1ccc2c(c1)C(O)=NS2(=O)=O |
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| InChI Key | GBYZSABEBYQOOQ-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherazacyclealkyl aryl ether1,2-benzothiazoleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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