| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:52 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O4S |
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| Molecular Mass | 238.03 |
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| SMILES | Cc1ccc(S(=O)(=O)O)c2cc(O)ccc12 |
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| InChI Key | CXFLFRNONABKAF-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-hydroxy-2-unsubstituted benzenoids1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativeshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivative2-naphtholorganooxygen compound |
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