| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:33 UTC |
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| Update Date | 2025-03-21 18:06:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063465 |
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| Frequency | 48.7 |
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| Structure | |
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| Chemical Formula | C19H22O12 |
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| Molecular Mass | 442.1111 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(C(=O)O)OC(O)(C(=O)O)C(O)C1O |
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| InChI Key | MTKFJFMROXTNND-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 ethersalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacyclepyrananisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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