| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:54 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 | DMID02166852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H29NO4 |
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| Molecular Mass | 383.2097 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(O)c3ccccc32)cc1 |
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| InChI Key | JXWBHYBNPJKPAO-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 acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativeshydroquinolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetetrahydroquinolinetertiary amineorganoheterocyclic compoundalcoholazacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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