| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:47 UTC |
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| Update Date | 2025-03-21 18:33:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097541 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C26H35NO4 |
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| Molecular Mass | 425.2566 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(O)(Cc3ccccc3)CC2)cc1 |
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| InChI Key | IHYWEQOZIKJLTG-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 | 4-benzylpiperidines |
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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 compound4-benzylpiperidinetertiary aminealcoholazacycletertiary aliphatic aminetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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