| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:42 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O11 |
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| Molecular Mass | 412.1006 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)OC(C(O)CO)C2=O)ccc1O |
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| InChI Key | FGVBNUGHWKGASS-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesalpha-acyloxy ketonesanisolescarboxylic acidscyclic ketonesdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-acyloxy ketonearomatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketonealpha,beta-unsaturated carboxylic esterorganic oxidehemiacetaloxaneprimary alcoholorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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