| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:44:47 UTC |
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| Update Date | 2025-03-24 22:12:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02026066 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | CC1(O)C2CC(=O)OC21 |
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| InChI Key | SCTRDUXRUVNBBC-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 derivativesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofurandelta valerolactonecarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecyclopropanoloxanedelta_valerolactoneorganooxygen compound |
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