| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20NO+ |
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| Molecular Mass | 242.1539 |
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| SMILES | COc1ccc([N+](C)(C)Cc2ccccc2)cc1 |
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| InChI Key | VBSOBZRCUHBIDS-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 | phenylmethylamines |
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| Direct Parent | phenylbenzamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminophenyl ethersaniline and substituted anilinesanisolesaralkylaminesbenzylamineshydrocarbon derivativesmethoxybenzenesorganic cationsorganic saltsorganopnictogen compoundsphenoxy compoundsquaternary ammonium salts |
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| Substituents | phenol etheretheralkyl aryl etheraralkylamineorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltaminophenyl etheraniline or substituted anilinesquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundphenylbenzamineorganic oxygen compoundbenzylamineanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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