| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:11 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O6 |
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| Molecular Mass | 300.1321 |
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| SMILES | Cc1c(CC(N)C(=O)O)c[nH]c1C1OC(CO)C(O)C1O |
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| InChI Key | PWKKFGFGBJHXRU-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 acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidedialkyl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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