| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:02 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134135 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | O=C1CCC(C(=O)Oc2ccc(O)cc2)O1 |
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| InChI Key | JGVSFCMAMIOFGG-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 benzenoidscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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