| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:18 UTC |
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| Update Date | 2025-03-25 01:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O11 |
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| Molecular Mass | 390.1162 |
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| SMILES | CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
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| InChI Key | STEDFOFWVUHEQP-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 | carboxylic acids and derivatives |
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| Subclass | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholcarbonyl groupcyclohexanolcyclitol or derivativescyclic alcoholpentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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