| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:31 UTC |
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| Update Date | 2025-03-21 18:03:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047001 |
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| Frequency | 71.0 |
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| Structure | |
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| Chemical Formula | C15H16O8 |
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| Molecular Mass | 324.0845 |
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| SMILES | COc1cc(C=CC(=O)OC(CCC(=O)O)C(=O)O)ccc1O |
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| InChI Key | LLEVILXMKUNMHC-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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