| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:01 UTC |
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| Update Date | 2025-03-21 18:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036171 |
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| Frequency | 98.0 |
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| Structure | |
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| Chemical Formula | C18H22O6 |
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| Molecular Mass | 334.1416 |
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| SMILES | CC1C(Oc2ccc(CC3CCC(=O)O3)cc2)OC(C(=O)O)C1C |
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| InChI Key | QWFFKIACRGINCF-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 compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundacetalcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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