Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 01:03:29 UTC |
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Update Date | 2025-03-21 19:02:15 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00212316 |
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Frequency | 10.3 |
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Structure | |
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Chemical Formula | C5H6O2 |
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Molecular Mass | 98.0368 |
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SMILES | O=C1CC2CC2O1 |
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InChI Key | UHRXUDYFOJKBHF-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 estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestetrahydrofurans |
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Substituents | carbonyl grouptetrahydrofurandelta valerolactonecarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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