| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:55 UTC |
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| Update Date | 2025-03-21 18:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033551 |
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| Frequency | 108.1 |
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| Structure | |
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| Chemical Formula | C17H24O8 |
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| Molecular Mass | 356.1471 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OC1C(O)C(O)C(O)C(O)C1O |
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| InChI Key | IARQFKXRJOCXSD-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativesfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcyclohexanolcyclitol or derivativescyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoid |
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