| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:21 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O9 |
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| Molecular Mass | 432.142 |
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| SMILES | O=C(CCC(O)Cc1cc(O)cc(O)c1)Oc1c(O)cc(CC2CCC(=O)O2)cc1O |
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| InChI Key | VXYHEFZVNWDMKS-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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