| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O6S |
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| Molecular Mass | 366.0886 |
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| SMILES | CN(C)c1cccc2c(S(=O)(=O)N(CC(=O)O)CC(=O)O)cccc12 |
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| InChI Key | SIUZJXOPHXOFJP-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 acidsamino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminetertiary amineaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideamineorganooxygen compound |
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