| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:29 UTC |
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| Update Date | 2025-03-21 18:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032474 |
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| Frequency | 112.4 |
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| Structure | |
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| Chemical Formula | C25H33NO4 |
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| Molecular Mass | 411.241 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(O)(c3ccccc3)CC2)cc1 |
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| InChI Key | DLOKFFDWYDCAFW-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 | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholazacycletertiary aliphatic aminetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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