| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:42 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O6 |
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| Molecular Mass | 311.1117 |
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| SMILES | N=C(N)Nc1ccc(OC2COC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | ZOIWDUYOQXJDDW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkyl ethersguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundguanidineiminemonosaccharidealkyl aryl ethercarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxane1,2-diolalcoholpyran carboxylic acid or derivativescarboximidamidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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