| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:39 UTC |
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| Update Date | 2025-03-25 00:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO8S |
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| Molecular Mass | 385.0831 |
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| SMILES | O=S(=O)(O)c1cccc2cccc(NC3C(O)OC(CO)C(O)C3O)c12 |
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| InChI Key | SJCANFFORXLIKI-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 heteropolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidmonosaccharideorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonatesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcohol1-sulfo,2-unsubstituted aromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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