| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:52 UTC |
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| Update Date | 2025-03-21 18:04:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052498 |
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| Frequency | 62.0 |
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| Structure | |
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| Chemical Formula | C17H18O6 |
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| Molecular Mass | 318.1103 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)Oc1ccc(O)cc1 |
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| InChI Key | VWPYLVSONPMTCL-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 benzenoidscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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