| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:38 UTC |
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| Update Date | 2025-03-21 18:39:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123801 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)Oc1cc(CC2CCC(=O)O2)ccc1O |
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| InChI Key | OBWDHEMNTOWMRH-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 | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonic acid monoesterscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarbonic acid derivativearomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativescarbonic acid monoesterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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