| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:10 UTC |
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| Update Date | 2025-03-21 18:36:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110736 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C21H32O3 |
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| Molecular Mass | 332.2351 |
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| SMILES | CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(C)(C)C1 |
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| InChI Key | KYYMDWRQLIWSCM-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 estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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