| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:25:47 UTC |
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| Update Date | 2025-03-25 01:25:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02398675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO2 |
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| Molecular Mass | 113.0477 |
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| SMILES | O=C1OC2CCC1N2 |
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| InChI Key | ZKYBLDBNWWRDQD-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 esters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid estersdelta valerolactonesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesoxazolidinonespyrrolidines |
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| Substituents | carbonyl groupdelta valerolactonelactonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanepyrrolidinedelta_valerolactoneorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid esterazacyclesecondary amineoxacycleoxazolidinonemonocarboxylic acid or derivativesorganic oxygen compoundoxazolidinecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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