| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:00 UTC |
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| Update Date | 2025-03-21 18:37:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117649 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | COc1cc(S(N)(=O)=O)ccc1C(=O)O |
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| InChI Key | CSDXOGPIGCMWCZ-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 | benzoic acids and derivatives |
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| Direct Parent | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidbenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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