| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:12 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO3S |
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| Molecular Mass | 299.0616 |
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| SMILES | O=S(=O)(O)c1cccc(Nc2cccc3ccccc23)c1 |
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| InChI Key | KTVCATDNORBRIJ-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 aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundbenzenesulfonatesecondary amineorganosulfur compoundorganic oxidesulfonylnaphthalenearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminebenzenesulfonyl group |
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