| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:41 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216756 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22NO2+ |
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| Molecular Mass | 224.1645 |
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| SMILES | CCC(c1ccc(O)c(OC)c1)[N+](C)(C)C |
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| InChI Key | SMSWYIZVTVLICL-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylamineshydrocarbon derivativesmethoxybenzenesorganic cationsorganic saltsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylpropylaminestetraalkylammonium salts |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraralkylaminephenylpropaneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltphenylpropylaminetetraalkylammonium saltquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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