| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:48 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121878 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C9H14N2O2 |
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| Molecular Mass | 182.1055 |
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| SMILES | CCNCC(=O)NCc1ccco1 |
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| InChI Key | YJEMIGDIHVWIRA-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 acidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideheteroaromatic compoundsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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