| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:10 UTC |
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| Update Date | 2025-03-25 00:52:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO7 |
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| Molecular Mass | 341.1475 |
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| SMILES | CCN(CC)c1ccc(OC2C(O)OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | PMEGRPVVQDMLOT-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersamino acidsaminophenyl ethersaniline and substituted anilinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhemiacetaloxanedialkylarylamineaminophenyl ethertertiary amineorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesaniline or substituted anilineshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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