| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:55 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166868 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H38N2O3 |
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| Molecular Mass | 438.2882 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(CN)c3ccccc3)CC2)cc1 |
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| InChI Key | ADDXPBKJDWGZFF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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