| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:13 UTC |
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| Update Date | 2025-03-25 01:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | C=CC1CN2CC(O)CC1CC2C(=O)OC |
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| InChI Key | YPMYJCQTVSBFJO-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 | 1,2-aminoalcoholsalpha amino acidsazacyclic compoundsazepanescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupaliphatic heteropolycyclic compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalcoholalpha-amino acid esterazacycle1,2-aminoalcoholtertiary aliphatic aminemonocarboxylic acid or derivativesazepaneorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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