| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:15 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O7 |
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| Molecular Mass | 346.1053 |
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| SMILES | COc1cc(CCC(=O)CC(=O)Oc2cc(O)cc(O)c2)ccc1O |
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| InChI Key | HDKXWULSYSXHHZ-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-keto acidresorcinolketoneorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidcarboxylic acid esterphenol esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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