| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:21 UTC |
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| Update Date | 2025-03-21 18:39:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127880 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C22H34N2O4 |
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| Molecular Mass | 390.2519 |
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| SMILES | CN(C)C(=O)C1CCN(CCCC(O)c2ccc(C(C)(C)C(=O)O)cc2)CC1 |
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| InChI Key | SDDWWIIZLZRMMZ-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinecarboxamidespiperidinessecondary alcoholstertiary carboxylic acid amidestrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylaminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacyclepiperidinecarboxamidetertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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