| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:29 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248224 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3S |
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| Molecular Mass | 236.0507 |
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| SMILES | Cc1ccc2cccc(C)c2c1S(=O)(=O)O |
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| InChI Key | PHGVOOXXOORRRU-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 sulfonatesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivative |
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