| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:20 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154295 |
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| Frequency | 0.5 |
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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)CC(O)(C(=O)O)O2)ccc1O |
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| InChI Key | FTBNYBFWXKDMEY-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 benzenoidsacetalsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidalpha,beta-unsaturated carboxylic esterorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid estertertiary alcoholorganic oxygen compoundpyrananisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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