| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:48 UTC |
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| Update Date | 2025-03-21 18:30:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083303 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O3 |
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| Molecular Mass | 198.1004 |
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| SMILES | CC(C)CC1N=CC(C(=O)O)N=C1O |
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| InChI Key | QNVINRSUIPGJBJ-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 | cyclic peptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleimineorganic 1,3-dipolar compoundalpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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