| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:33 UTC |
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| Update Date | 2025-03-21 18:03:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047075 |
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| Frequency | 70.8 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | CC(C(=O)O)c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | GTNIHNXJMUVRBM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupbenzenesulfonamidecarboxylic acidaminosulfonyl compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compound2-phenylpropanoic-acidorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
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