| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:01 UTC |
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| Update Date | 2025-03-25 00:48:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27NO3 |
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| Molecular Mass | 353.1991 |
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| SMILES | CC(C(=O)O)c1ccc(CN2CCC(C(O)c3ccccc3)CC2)cc1 |
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| InChI Key | LMVGWHMYLFABSJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | benzylpiperidines |
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| Direct Parent | n-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesaromatic alcoholsaromatic monoterpenoidsazacyclic compoundsbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylmethylaminesphenylpropanoic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativearalkylamineorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholazacycletertiary aliphatic aminen-benzylpiperidinemonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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