| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:01:36 UTC |
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| Update Date | 2025-03-24 20:34:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01493314 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H9NO3 |
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| Molecular Mass | 143.0582 |
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| SMILES | O=C(O)C1CC2CC(N1)O2 |
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| InChI Key | XOECEQSDUXZXAR-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-oxazinanesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxetanespiperidinecarboxylic acidspiperidines |
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| Substituents | carbonyl groupcarboxylic acidamino acidhemiaminalaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundsecondary aliphatic amineazacycle1,3-oxazinanesecondary amineoxazinaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundoxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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