| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:39 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O5 |
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| Molecular Mass | 229.0699 |
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| SMILES | Cn1c(=O)[nH]cc(NCC(O)C(=O)O)c1=O |
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| InChI Key | JSUVDZHCVSMUQT-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidalpha-hydroxy acidmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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