| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:59 UTC |
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| Update Date | 2025-03-21 18:05:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057384 |
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| Frequency | 55.3 |
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| Structure | |
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| Chemical Formula | C18H24O11 |
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| Molecular Mass | 416.1319 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1C(O)C(O)C(O)C(O)C1C(=O)O |
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| InChI Key | RCKDWGIWAFBQHP-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 | cyclohexanols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidecyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundfatty acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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