| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:14 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O3 |
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| Molecular Mass | 196.1099 |
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| SMILES | C=CC(=O)CCCCC1CCC(=O)O1 |
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| InChI Key | KRJLUSWXMIILHY-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 | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acid estersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofuranalpha,beta-unsaturated ketonecarboxylic acid derivativegamma butyrolactoneketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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