| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:06 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5S |
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| Molecular Mass | 281.0358 |
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| SMILES | O=C(O)CNS(=O)(=O)c1ccc2c(O)cccc2c1 |
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| InChI Key | XHWPXYLJBFQHGR-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 sulfonamides |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-naphthalene sulfonic acids and derivativesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthols and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative2-naphthalene sulfonamideorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoid2-naphthalene sulfonic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivative1-naphtholorganic nitrogen compoundorganooxygen compound |
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