| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:11 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050904 |
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| Frequency | 116.6 |
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| Structure | |
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| Chemical Formula | C8H13N3O2 |
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| Molecular Mass | 183.1008 |
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| SMILES | CN(C)C(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | IMOBSLOLPCWZKQ-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideimidazolealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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