| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200464 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O7 |
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| Molecular Mass | 308.0896 |
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| SMILES | COc1ccc(C=CC(=O)CC(CC(=O)O)C(=O)O)cc1O |
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| InChI Key | LUKXPSYEOAWEHU-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebranched fatty acidhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundorganic oxygen compoundanisoleketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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