| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:31 UTC |
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| Update Date | 2025-03-25 00:48:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O6 |
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| Molecular Mass | 332.126 |
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| SMILES | CC1=CCC(C(=O)O)OC1Oc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | CEKVNWKFMDGKDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundspyranstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundacetalpyrancarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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