| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:01 UTC |
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| Update Date | 2025-03-25 00:49:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O7 |
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| Molecular Mass | 380.1835 |
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| SMILES | CCCCCC=CC(=O)OCOC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | YRWPXNBOVSXRTD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | enoate esteralcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundacylalalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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