| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:06 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25N3O4S |
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| Molecular Mass | 427.1566 |
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| SMILES | CN(C)CCCNC(=O)c1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)cc1 |
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| InChI Key | GARDFYUZJXIQPX-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 acids and derivativesarylsulfonic acids and derivativesbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary aminessecondary carboxylic acid amidessulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyamino acid or derivativesorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativebenzamide1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amine1-sulfo,2-unsubstituted aromatic compoundtertiary aliphatic aminebenzoic acid or derivativesaromatic homopolycyclic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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