| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:41 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO5S |
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| Molecular Mass | 267.0201 |
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| SMILES | O=C(O)Nc1cccc2c(S(=O)(=O)O)cccc12 |
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| InChI Key | ILPIVTHSCDBRSY-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 derivativescarbamic acidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarbamic acidorganosulfonic acidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonic acid derivative1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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