| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:26 UTC |
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| Update Date | 2025-03-21 17:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011836 |
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| Frequency | 388.0 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | NC(CCn1ccc(=O)c(O)c1)C(=O)O |
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| InChI Key | WGRNKUVLLWMOCM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclic ketoneorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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