| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:20 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044149 |
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| Frequency | 149.8 |
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| Structure | |
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| Chemical Formula | C13H21N3O3 |
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| Molecular Mass | 267.1583 |
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| SMILES | CC(C)CC(N=C(O)C(N)Cc1cc[nH]c1)C(=O)O |
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| InChI Key | OFCIPRYLURHXPM-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundleucine or derivativespyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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