| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153506 |
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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(C(=O)O)C(=O)O)cc1OC |
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| InChI Key | REOFRZARVBFJHP-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 | 1,3-dicarbonyl compoundsacryloyl compoundsalkyl aryl ethersanisolesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketonedimethoxybenzenecinnamic acid or derivativesorganic oxideo-dimethoxybenzeneenonemethoxybenzenebranched fatty acidgamma-keto acidaromatic homomonocyclic compoundorganic oxygen compoundanisoleketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidacryloyl-group1,3-dicarbonyl compoundphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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