| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:33:11 UTC |
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| Update Date | 2025-03-24 20:22:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01426863 |
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| Frequency | 0.9 |
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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 | COC(=O)C1=CCCN1 |
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| InChI Key | CDZRRLPATGORAX-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdialkylaminesenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acids |
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| Substituents | carbonyl groupalpha,beta-unsaturated carboxylic esterorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundenoate estersecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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