| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:10 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093612 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C14H21NO2 |
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| Molecular Mass | 235.1572 |
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| SMILES | CN(C)CCCC(CC(=O)O)c1ccccc1 |
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| InChI Key | BTCNZLFQVBJZCL-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 homomonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstrialkylamines |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidfatty acidcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidtertiary aminetertiary aliphatic amineamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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