| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:45 UTC |
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| Update Date | 2025-03-21 18:05:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056828 |
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| Frequency | 56.0 |
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| Structure | |
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| Chemical Formula | C17H13NO5S |
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| Molecular Mass | 343.0514 |
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| SMILES | O=C(O)c1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)cc1 |
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| InChI Key | NVXHXUZKMHUYTN-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 sulfonates1-sulfo,2-unsubstituted aromatic compoundsamino acidsarylsulfonic acids and derivativesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativesaromatic homopolycyclic compoundsecondary aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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