| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:25:40 UTC |
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| Update Date | 2025-03-24 22:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01980272 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | O=C1OC2CCCC1N2 |
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| InChI Key | XIRIVRVBCXIPKF-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 estersdialkylamineshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxazolidinonesoxepanespiperidines |
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| Substituents | caprolactonecarbonyl grouplactonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid esterazacyclesecondary amineoxepaneoxacycleoxazolidinonemonocarboxylic acid or derivativesorganic oxygen compoundoxazolidinecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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