| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:30 UTC |
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| Update Date | 2025-03-21 18:07:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068121 |
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| Frequency | 44.5 |
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| Structure | |
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| Chemical Formula | C14H14O7 |
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| Molecular Mass | 294.074 |
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| SMILES | O=C(O)CC(=O)Oc1cc(O)cc(CC2CCC(=O)O2)c1 |
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| InChI Key | SPGDMCOPPFRKQN-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 acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterphenolhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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