| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:53 UTC |
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| Update Date | 2025-03-21 18:34:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102711 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C14H14O7 |
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| Molecular Mass | 294.074 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)C(=O)O)cc(OC)c1O |
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| InChI Key | KTGSEHGQZGPMPX-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 | 3-acylpyruvic acidsacryloyl compoundsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarbocyclic fatty acidscarboxylic acidsdimethoxybenzenesenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonedimethoxybenzeneorganic oxidealpha-keto acidhydroxy fatty acidenone3-acylpyruvic acidmethoxybenzenehydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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