| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:38 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5S2 |
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| Molecular Mass | 286.9922 |
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| SMILES | Nc1cccc2c(S(=O)O)cc(S(=O)(=O)O)cc12 |
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| InChI Key | DWPQDXPRZYDLKV-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 sulfonates |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-naphthalene sulfonic acids and derivativesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessulfinic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativessulfinic acid derivativeorganosulfonic acidorganosulfur compoundsulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compound2-naphthalene sulfonate1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compound2-naphthalene sulfonic acid or derivativessulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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