| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:23 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250290 |
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| Frequency | 0.5 |
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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(OCC1OC(=O)C(O)C1O)c1ccccc1 |
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| InChI Key | HJKHVYJNUQPSJX-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundbenzoylmonosaccharidebenzoate estercarboxylic acid derivativelactonesaccharideorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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