| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:48 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7 |
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| Molecular Mass | 218.0427 |
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| SMILES | CC(=O)OC1C(=O)OC(C(O)CO)C1=O |
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| InChI Key | RLNNXOUJICQAJC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1,3-dicarbonyl compoundscarboxylic acid esterscyclic ketonesdicarboxylic acids and derivativesfuranonesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholalpha-acyloxy ketonetetrahydrofurancyclic ketonecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundprimary alcohol3-furanoneorganoheterocyclic compound1,2-diol |
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