| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:35 UTC |
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| Update Date | 2025-03-25 00:52:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195688 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O4 |
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| Molecular Mass | 346.2144 |
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| SMILES | CC1OC(C)(Oc2ccc(CC3CCC(=O)O3)cc2)C(C)C(C)C1C |
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| InChI Key | ITHYGINNRQTVJR-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 | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalketalcarboxylic acid esterhydrocarbon derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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