| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:21 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O5 |
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| Molecular Mass | 248.0685 |
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| SMILES | O=C(Cc1ccccc1)OC(=O)C1CCC(=O)O1 |
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| InChI Key | LEWKECANZPTDGF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurantricarboxylic acid or derivativesgamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid estercarboxylic acid anhydridehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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