| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:57 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182972 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8O7S2 |
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| Molecular Mass | 303.9711 |
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| SMILES | O=S(=O)(O)Oc1c(S(=O)(=O)O)ccc2ccccc12 |
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| InChI Key | COLOASXMFSPLAT-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 sulfonatesarylsulfatesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoesterorganic sulfuric acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compound2-naphthalene sulfonic acid or derivativesorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatesulfate-esterhydrocarbon derivativearylsulfatesulfuric acid ester2-naphthalene sulfonateorganooxygen compound |
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