| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:20 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252429 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO4S |
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| Molecular Mass | 343.0878 |
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| SMILES | NCCc1ccc(OS(=O)(=O)c2cccc3ccccc23)c(O)c1 |
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| InChI Key | LHBRLPSLLFMQRK-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-naphthalene sulfonatesarylsulfonic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid estersulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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