| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:52 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O4S |
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| Molecular Mass | 216.0456 |
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| SMILES | O=S(=O)(O)c1cccc(CCCO)c1 |
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| InChI Key | GTPPDHXBEOWYMB-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalcohols and polyolsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | alcoholorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganooxygen compoundbenzenesulfonyl group |
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