| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:24 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO3S2 |
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| Molecular Mass | 297.0493 |
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| SMILES | CSCCNc1ccc(S(=O)(=O)O)c2ccccc12 |
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| InChI Key | IJTXJCAPNLGZRJ-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 derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfenyl compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compound1-sulfo,2-unsubstituted aromatic compounddialkylthioetheraromatic homopolycyclic compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesthioethernaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundamine |
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