| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177824 |
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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 | COS(=O)(=O)c1ccc2c(O)cccc2c1 |
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| InChI Key | PNGFDEBTVWUMBA-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-naphthalene sulfonatesarylsulfonic acids and derivativeshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid ester2-naphthalene sulfonic acid or derivativesorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivative1-naphthol2-naphthalene sulfonateorganooxygen compound |
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