| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:24 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O5 |
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| Molecular Mass | 334.1529 |
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| SMILES | O=C(O)CCc1ccc(NC(=O)CCN2CCCC2C(=O)O)cc1 |
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| InChI Key | WFWXLBFSCKISTD-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsanilidesazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesn-arylamidesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspyrrolidine carboxylic acidssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidn-arylamideorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide groupbeta amino acid or derivativesanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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