| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:49 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO8 |
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| Molecular Mass | 383.158 |
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| SMILES | COc1cc2c(cc1OC1C(O)OC(C(=O)O)C(O)C1O)CCN(C)C2C |
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| InChI Key | UPCRNCYIJZVJAS-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersamino acidsanisolesaralkylaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidaralkylaminebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhemiacetaloxanetertiary amineorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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