| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:50 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4S |
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| Molecular Mass | 279.0565 |
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| SMILES | COc1ccc(Nc2ccccc2S(=O)(=O)O)cc1 |
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| InChI Key | ZXPFVNOSSIJCGU-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 | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssecondary aminessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherorganosulfonic acidbenzenesulfonatealkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundsecondary aminemethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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