| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O8 |
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| Molecular Mass | 383.1329 |
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| SMILES | NC(Cc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2[nH]c(=O)ccc12)C(=O)O |
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| InChI Key | HKPVEWDTYSEDAT-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholspyridinonespyrrolespyrrolopyridinessecondary alcohols |
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| Substituents | carbonyl groupetherlactamcarboxylic acidpolyhalopyridinemonosaccharidedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineoxaneprimary alcoholorganoheterocyclic compoundalcoholazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyridinoneorganooxygen compound |
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