| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:32 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4 |
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| Molecular Mass | 232.0736 |
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| SMILES | O=C1CCC(Cc2ccc3c(c2)OCC3=O)O1 |
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| InChI Key | VXHICEGBZSIODZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzofurans |
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| Subclass | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzenoidscarboxylic acid esterscoumaransgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupetheraryl alkyl ketonebenzofuranonetetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidcoumaranorganooxygen compoundaryl ketone |
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