Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:24:27 UTC |
---|
Update Date | 2025-03-21 18:38:29 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00121054 |
---|
Frequency | 21.4 |
---|
Structure | |
---|
Chemical Formula | C17H24O5 |
---|
Molecular Mass | 308.1624 |
---|
SMILES | CC1C(Oc2ccc(CCO)cc2)OC(C(=O)O)C(C)C1C |
---|
InChI Key | BDLUMJSIDBLOQN-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | benzenoids |
---|
Class | phenols |
---|
Subclass | tyrosols and derivatives |
---|
Direct Parent | tyrosols and derivatives |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | acetalsalcohols and polyolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
---|
Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundcarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalpyranhydrocarbon derivativetyrosol derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
---|