| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:17 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O8 |
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| Molecular Mass | 331.1016 |
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| SMILES | O=C(O)CNC1C(O)C(O)C(CO)OC1n1ccc(=O)[nH]c1=O |
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| InChI Key | TVWZABKWQSGFBC-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundsecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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