| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:52 UTC |
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| Update Date | 2025-03-25 00:45:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO5S2 |
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| Molecular Mass | 363.0235 |
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| SMILES | O=S(O)c1cccc2cccc(Nc3ccccc3S(=O)(=O)O)c12 |
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| InChI Key | KDGZZRYPXKIUAI-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary aminessulfinic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-sulfo,2-unsubstituted aromatic compoundsulfinic acid derivativeorganosulfonic acidaromatic homopolycyclic compoundbenzenesulfonateorganosulfur compoundsecondary aminesulfinic acidorganic oxidesulfonylnaphthalenearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminebenzenesulfonyl group |
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