| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:37 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119117 |
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| Frequency | 21.9 |
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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 | COc1ccc2c(S(=O)(=O)O)cccc2c1 |
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| InChI Key | IPMMGCAWXLDNPK-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 compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesether1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundalkyl aryl etherorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonateanisolehydrocarbon derivativeorganooxygen compound |
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