| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:49 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248965 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O6S |
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| Molecular Mass | 282.0198 |
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| SMILES | COc1ccc2c(S(=O)(=O)O)cc(C(=O)O)cc2c1 |
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| InChI Key | GQOLVTBDPHBQKT-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-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compounds3-sulfobenzoic acidsalkyl aryl ethersanisolesarylsulfonic acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenecarboxylic acidsorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidsulfobenzoic acidorganosulfonic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxide3-sulfobenzoic acid1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonateanisole2-naphthalenecarboxylic acid or derivativeshydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compound |
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