| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:02 UTC |
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| Update Date | 2025-03-21 18:38:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120063 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C17H22N2O6 |
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| Molecular Mass | 350.1478 |
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| SMILES | O=C(O)C(CCN1CCC1C(=O)O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | LXPBUDBJICAAAX-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsamphetamines and derivativesazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidazetidinecarboxylic acidtricarboxylic acid or derivativesorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic amineazacycletertiary aliphatic aminesecondary amineamino fatty acidazetidinephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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