Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:14 UTC |
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Update Date | 2025-03-25 00:50:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181357 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C14H21N3O9 |
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Molecular Mass | 375.1278 |
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SMILES | O=C(O)CNC(Cc1cn(C2OC(CO)C(O)C(O)C2O)cn1)C(=O)O |
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InChI Key | BPQXOAKAHOJHFM-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 acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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