| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:48 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224028 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28O9 |
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| Molecular Mass | 436.1733 |
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| SMILES | O=C(CCC(O)Cc1cc(O)cc(O)c1)OC(O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | WCHQFUITHCCXPY-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 alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinolssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholphenolhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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