| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:23 UTC |
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| Update Date | 2025-03-21 17:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022869 |
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| Frequency | 172.9 |
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| Structure | |
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| Chemical Formula | C12H15N3O2 |
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| Molecular Mass | 233.1164 |
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| SMILES | COc1ccc2[nH]cc(CC(N)C(N)=O)c2c1 |
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| InChI Key | WBCQUWBNNSVUCC-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethercarbonyl groupetherindolefatty amidealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide grouporganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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