| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:40 UTC |
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| Update Date | 2025-03-21 18:06:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063726 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C23H29NO3 |
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| Molecular Mass | 367.2147 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCc3ccccc3C2)cc1 |
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| InChI Key | RLBCEPUESNIOGC-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcoholstetrahydroisoquinolinestrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearalkylaminephenylpropaneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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