| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:10 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22NO3+ |
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| Molecular Mass | 264.1594 |
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| SMILES | CC(C(=O)O)c1ccc(C[N+]2(C)CCC(O)C2)cc1 |
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| InChI Key | JXEOSTDCMUNXMK-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaralkylaminesaromatic monoterpenoidsazacyclic compoundsbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylmethylaminessecondary alcoholstetraalkylammonium salts |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativearalkylamineorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidine1,2-aminoalcoholquaternary ammonium saltmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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