| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17N3O2 |
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| Molecular Mass | 307.1321 |
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| SMILES | N#Cc1ccc2c(c1)CN(C(=O)C(N)Cc1ccc(O)cc1)C2 |
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| InChI Key | XBQRQTMXYJPTDL-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisoindolesisoindolinesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrile1-hydroxy-2-unsubstituted benzenoidorganic oxideisoindolinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacycleisoindolecarboxamide grouporganic oxygen compoundisoindole or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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