| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:56 UTC |
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| Update Date | 2025-03-21 18:40:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131693 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C9H13NO5S |
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| Molecular Mass | 247.0514 |
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| SMILES | CS(=O)(=O)Oc1ccc(C(O)CN)cc1O |
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| InChI Key | TXHRSHASOXWGLV-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesmethanesulfonatesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid esterssecondary alcoholssulfonic acid esterssulfonyls |
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| Substituents | aromatic alcoholorganosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundalcohol1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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