| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:31 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121211 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C16H21NO8 |
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| Molecular Mass | 355.1267 |
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| SMILES | CN1CCc2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2C1 |
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| InChI Key | XMKKHHUBQFQELY-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsamino acidsaralkylaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidaralkylamine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundoxanetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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