| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:00 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217531 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36O6 |
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| Molecular Mass | 396.2512 |
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| SMILES | CC1CC(O)C2C(CC(O)C3(C)C(O)CCC23)C1CCC1CC(O)CC(=O)O1 |
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| InChI Key | SACRSUKTRQXYPD-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 esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecyclic alcoholcarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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