| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156798 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O10 |
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| Molecular Mass | 348.1056 |
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| SMILES | O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C1=CC(O)C(O)C(O)C1 |
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| InChI Key | VLDZLDCHIMFXPP-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic oxidesshikimic acids and derivatvestertiary alcohols |
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| Substituents | enoate estercarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativeshikimic acid or derivativesalpha,beta-unsaturated carboxylic estertertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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