| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:50 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040509 |
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| Frequency | 85.2 |
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| Structure | |
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| Chemical Formula | C17H18O11 |
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| Molecular Mass | 398.0849 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)OC(C(=O)O)C2O)ccc1O |
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| InChI Key | KQTXLTGBCCHLCP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidalpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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