| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:52:47 UTC |
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| Update Date | 2025-03-24 18:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01040901 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | O=C(O)C1NCC2C=CC21 |
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| InChI Key | OFDATZDVDIPPJN-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 | amino acidsazacyclic compoundsazepinescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundazepinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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