| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:07 UTC |
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| Update Date | 2025-03-21 18:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031621 |
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| Frequency | 116.3 |
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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 | COS(=O)(=O)Oc1cccc2cc[nH]c12 |
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| InChI Key | VDMYBNYBLSNAKQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid diesters |
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| Substituents | azacycleindoleheteroaromatic compoundindole or derivativesorganic oxideorganic oxygen compoundsulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfatepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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