| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:05 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224634 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13ClN2O5S2 |
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| Molecular Mass | 411.9954 |
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| SMILES | NS(=O)(=O)c1ccc(Nc2cccc3c(S(=O)(=O)O)cccc23)cc1Cl |
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| InChI Key | IKONJWQZNZEFQZ-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 compoundsaminosulfonyl compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesorganosulfonic acidssecondary amines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganochlorideorganosulfonic acidorganosulfur compoundorganohalogen compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid amide1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamide1-sulfo,2-unsubstituted aromatic compoundaminosulfonyl compoundaromatic homopolycyclic compoundsecondary aminearyl halidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamine |
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