| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200108 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O8 |
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| Molecular Mass | 355.1016 |
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| SMILES | Cc1ncc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c(N)n1 |
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| InChI Key | VERTXXJFMWYFIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyran carboxylic acidspyrimidines and pyrimidine derivativessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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