| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:58 UTC |
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| Update Date | 2025-03-21 18:29:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076488 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C25H33NO3 |
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| Molecular Mass | 395.246 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(c3ccccc3)CC2)cc1 |
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| InChI Key | HXISHNGGVACGDZ-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 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 aminemonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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