| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:59 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18NO5S+ |
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| Molecular Mass | 324.09 |
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| SMILES | C[N+](C)(C(Cc1cccc2ccccc12)C(=O)O)S(=O)(=O)O |
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| InChI Key | MGUVCBAXYBHBPZ-UHFFFAOYSA-O |
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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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidorganic sulfuric acid or derivativesaromatic homopolycyclic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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