| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:19 UTC |
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| Update Date | 2025-03-25 00:48:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36O4 |
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| Molecular Mass | 364.2614 |
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| SMILES | CCC(C)(C)C1C=CC2C(CCC(C)C2CCC2CC(O)CC(=O)O2)O1 |
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| InChI Key | BPHQSCTUNFVAPL-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 estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyranssecondary alcohols |
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| Substituents | alcoholcarbonyl groupetherdelta valerolactonecarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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