| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:51 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO4 |
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| Molecular Mass | 239.1158 |
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| SMILES | COC(=O)C1C2C=CCC(C(=O)O)C2CN1C |
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| InChI Key | BXUKROTYMKUQMY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | bicyclic amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesisoindolesisoindolinesmethyl estersn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | bicyclic amino acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemethyl esterisoindolinepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundalpha-amino acid esterazacyclen-alkylpyrrolidineisoindoletertiary aliphatic aminepyrrolidine carboxylic acid or derivativesisoindole or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamine |
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