| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:15 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO5S |
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| Molecular Mass | 323.0827 |
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| SMILES | CCN(CC(O)C(=O)O)S(=O)(=O)c1cccc2ccccc12 |
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| InChI Key | MYSBMADIHIGMHJ-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 sulfonamidesalpha hydroxy acids and derivativesaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivativesorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidehydroxy acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideorganooxygen compound |
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