| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:57 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O7 |
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| Molecular Mass | 280.0583 |
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| SMILES | COc1cc(C=C(CC(=O)C(=O)O)C(=O)O)ccc1O |
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| InChI Key | FFQALQWRGQVGDS-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 ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneunsaturated fatty acidorganic oxidealpha-keto acidhydroxy fatty acidmethoxybenzenebranched fatty acidhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundorganic oxygen compoundanisoleketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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