| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:51 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | COc1ccc(C=C(CCCCC(=O)O)C(=O)O)cc1OC |
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| InChI Key | ZEHBOYPEKUONEA-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 | alkyl aryl ethersanisolesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesphenoxy compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddimethoxybenzeneunsaturated fatty acidcinnamic acid or derivativesorganic oxideo-dimethoxybenzenemedium-chain fatty acidmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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