| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O3 |
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| Molecular Mass | 197.08 |
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| SMILES | O=C(O)C1CC(O)C(c2c[nH]cn2)N1 |
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| InChI Key | RKAWPTWBFWBOFU-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideimidazolepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazoleproline or derivativesalcoholsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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