| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:14:31 UTC |
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| Update Date | 2025-03-24 21:05:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01668876 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | O=C1CCC2CC2O1 |
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| InChI Key | RITFNEQQIVGEFJ-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 compoundsoxanesoxepanes |
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| Substituents | carbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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