| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:06 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO2+ |
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| Molecular Mass | 222.1489 |
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| SMILES | C[N+]1(C)CC(O)C(O)C1Cc1ccccc1 |
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| InChI Key | LXHYICPFHZLAQP-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diolsaminesazacyclic compoundshydrocarbon derivativesn-alkylpyrrolidinesorganic cationsorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholmonocyclic benzene moietytetraalkylammonium saltaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidine1,2-aminoalcoholquaternary ammonium saltorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltpyrrolidineamineorganoheterocyclic compoundorganooxygen compound1,2-diol |
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