| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:48 UTC |
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| Update Date | 2025-03-21 17:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019347 |
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| Frequency | 211.9 |
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| Structure | |
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| Chemical Formula | C9H16O6 |
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| Molecular Mass | 220.0947 |
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| SMILES | CCCOC(=O)C(O)C(O)C(=O)OCC |
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| InChI Key | KVBWOGRAGGADPE-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 acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidecarboxylic acid derivativefatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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