| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:02 UTC |
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| Update Date | 2025-03-21 18:31:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088505 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C8H11NO2S |
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| Molecular Mass | 185.051 |
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| SMILES | NCCc1cccc(S(=O)O)c1 |
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| InChI Key | XTOIBZSOZSRYGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | monocyclic benzene moietysulfinic acid derivativeorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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