| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:24 UTC |
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| Update Date | 2025-03-21 18:36:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111328 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C16H22N2O3 |
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| Molecular Mass | 290.163 |
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| SMILES | Cc1cccc(C)c1NC(=O)CN1CCC(C(=O)O)CC1 |
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| InChI Key | RSMORMJAGRECRZ-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary carboxylic acid amidestrialkylaminesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalpha-amino acid amideazacycletertiary aliphatic aminem-xylenecarboxamide groupanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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