| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:16 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247741 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | COc1ccc(C=CC(O)CC(=O)C(=O)O)cc1OC |
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| InChI Key | FZYBTQCBQHUURO-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 | cinnamyl alcohols |
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| Subclass | cinnamyl alcohols |
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| Direct Parent | cinnamyl alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesbeta-hydroxy ketonescarbocyclic fatty acidscarboxylic acidsdimethoxybenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidcinnamyl alcoholalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonedimethoxybenzeneorganic oxideo-dimethoxybenzenealpha-keto acidhydroxy fatty acidalcoholmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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