| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:55 UTC |
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| Update Date | 2025-03-21 18:40:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129263 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C7H6O7 |
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| Molecular Mass | 202.0114 |
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| SMILES | O=C(O)CC(O)C1OC(=O)C(=O)C1=O |
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| InChI Key | SLOBPESETUWTDM-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesfuranonesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofurancyclic ketonecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative3-furanoneorganoheterocyclic compoundorganooxygen compound |
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