| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185943 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O7 |
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| Molecular Mass | 310.1053 |
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| SMILES | O=C(Cc1cccc(O)c1)OC1CC(O)(C(=O)O)CCC1O |
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| InChI Key | XHLGPBYRUVVTCJ-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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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