| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:50 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219453 |
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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 | COc1cc(C=C(CCCCCC(=O)O)C(=O)O)ccc1O |
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| InChI Key | IMXUWROPUHQCFV-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 ethersanisolesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acidmethoxybenzenebranched fatty acidhydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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