| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:17 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14N2O6S2 |
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| Molecular Mass | 394.0293 |
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| SMILES | Nc1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)c(S(=O)(=O)O)c1 |
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| InChI Key | DFDLITZARNVRAB-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 compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidbenzenesulfonateorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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