| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:22 UTC |
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| Update Date | 2025-03-21 18:41:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134897 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H13NO4S |
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| Molecular Mass | 267.0565 |
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| SMILES | O=S(=O)(O)c1cccc2cccc(NCCO)c12 |
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| InChI Key | SEAXSLCWYFVBJX-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 compoundsalcohols and polyolsalkanolaminesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundalkanolaminealcohol1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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