| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:42 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054357 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C13H18O5 |
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| Molecular Mass | 254.1154 |
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| SMILES | COC(=O)CCC(O)Cc1ccc(O)c(OC)c1 |
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| InChI Key | XRRGBFLLZWZIFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethoxybenzenesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl esteralcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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