| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:41 UTC |
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| Update Date | 2025-03-21 17:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019069 |
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| Frequency | 215.9 |
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| Structure | |
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| Chemical Formula | C15H21NO8 |
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| Molecular Mass | 343.1267 |
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| SMILES | COc1cc(CCN)ccc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | OFZCVQCQWPGTKT-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compound |
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