| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:55 UTC |
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| Update Date | 2025-03-21 18:37:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114985 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)O)cc(OC)c1OC |
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| InChI Key | LVIPUWMPDSCGCJ-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 | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalkyl aryl ethersanisolesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonecinnamic acid or derivativesorganic oxideenonemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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