| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:15 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181391 |
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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 | O=C(O)COc1ccc2c(S(=O)(=O)O)cccc2c1 |
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| InChI Key | HSWRCXFZKKVTLH-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 ethersarylsulfonic acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsphenol ethersphenoxyacetic acid derivativessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesphenoxyacetatecarbonyl groupethercarboxylic acidorganosulfonic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxide1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganooxygen compound |
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