| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O5S |
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| Molecular Mass | 252.0092 |
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| SMILES | O=C(O)c1ccc2ccc(S(=O)(=O)O)cc2c1 |
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| InChI Key | LMMFIRKMUNAHRT-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 | 2-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-naphthalene sulfonatesarylsulfonic acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenecarboxylic acidsorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acid1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compoundcarboxylic acid derivative2-naphthalene sulfonic acid or derivativesorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonate2-naphthalenecarboxylic acid or derivativeshydrocarbon derivative2-naphthalenecarboxylic acid2-naphthalene sulfonateorganooxygen compound |
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