| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:20 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222956 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O4S |
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| Molecular Mass | 322.0987 |
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| SMILES | NC(CCCNS(=O)(=O)c1cccc2ccccc12)C(=O)O |
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| InChI Key | FJNWOTXWZAOVKU-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 amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1-naphthalene sulfonamideorganooxygen compound |
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