Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:42:04 UTC |
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Update Date | 2025-03-21 17:59:16 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00019941 |
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Frequency | 204.1 |
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Structure | |
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Chemical Formula | C9H14NO+ |
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Molecular Mass | 152.107 |
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SMILES | C[N+](C)(C)c1ccc(O)cc1 |
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InChI Key | FXKOEYONRSTWCP-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 | benzene and substituted derivatives |
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Subclass | aniline and substituted anilines |
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Direct Parent | aniline and substituted anilines |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamineshydrocarbon derivativesorganic cationsorganic saltsorganooxygen compoundsorganopnictogen compoundsquaternary ammonium saltsp-aminophenols |
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Substituents | aniline or substituted anilinesquaternary ammonium saltaminophenol1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundp-aminophenolorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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