| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:43 UTC |
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| Update Date | 2025-03-21 18:30:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083090 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C24H36O6 |
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| Molecular Mass | 420.2512 |
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| SMILES | CCC(C)(O)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21 |
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| InChI Key | OZIKPINPTXINIO-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 | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcohols |
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| Substituents | alcoholfatty acylcarbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacyclefatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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