| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:12 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5S2 |
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| Molecular Mass | 327.0235 |
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| SMILES | NC(CSc1cccc2cccc(S(=O)(=O)O)c12)C(=O)O |
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| InChI Key | NZVZZWXSMGBCMT-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsalkylarylthioethersalpha amino acidsarylsulfonic acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfenyl compoundssulfonylsthiophenol ethersthiophenols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioether1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compound1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesthioethernaphthalene sulfonatecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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