| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:45 UTC |
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| Update Date | 2025-03-25 00:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189359 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O8 |
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| Molecular Mass | 338.1002 |
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| SMILES | CC(CC(=O)Oc1c(O)cc(CC2CCC(=O)O2)cc1O)C(=O)O |
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| InChI Key | NXFNAOXNXZXWEV-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 esterscarboxylic acidsfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativeresorcinollactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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