| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:42 UTC |
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| Update Date | 2025-03-21 18:30:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083044 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C18H24O5 |
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| Molecular Mass | 320.1624 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(=O)C(=O)O)O2 |
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| InChI Key | ZEIDWOYDHBTMDC-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 ethersalpha-hydroxy ketonesalpha-keto acids and derivativesbenzenoidscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundalpha-keto acidhydroxy fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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