| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H18N2O4S |
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| Molecular Mass | 418.0987 |
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| SMILES | O=C(O)c1ccc(NS(=O)(=O)c2cccc3cccc(Nc4ccccc4)c23)cc1 |
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| InChI Key | VDQOFUNDXMSNFW-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 sulfonamidesamino acidsaminosulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary aminessulfanilides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidaminosulfonyl compoundbenzoic acid or derivativesaromatic homopolycyclic compoundnaphthalene sulfonamidesecondary aminesulfanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideorganooxygen compoundamine |
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