| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:54 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054814 |
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| Frequency | 58.6 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)O)cc(OC)c1O |
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| InChI Key | GPXYOBMPPKAWHX-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 | acryloyl compoundsalkyl aryl ethersanisolesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsdimethoxybenzenesenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxyphenolsmonocarboxylic 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-ketonemethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonedimethoxybenzeneorganic oxidehydroxy fatty acidenonemethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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