| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:08 UTC |
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| Update Date | 2025-03-25 00:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27N3O3 |
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| Molecular Mass | 321.2052 |
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| SMILES | CC(=O)NCC(=O)NC(Cc1ccccc1)C(O)CNC(C)C |
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| InChI Key | SFCOTVPRWJHCPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesalcoholsecondary aliphatic aminealpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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