| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O7 |
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| Molecular Mass | 316.1271 |
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| SMILES | Cc1c(CCC(=O)O)ncn1C1OC(CO)C(O)C(O)C1O |
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| InChI Key | YUJAISOLZAHIDB-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 | monosaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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