| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163791 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26O5 |
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| Molecular Mass | 346.178 |
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| SMILES | CC1(CCC(=O)O)CC(C)(C)c2ccc(CC3CCC(=O)O3)cc2O1 |
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| InChI Key | XBQVCLMCSMFVDJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyrantetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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