| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:09:06 UTC |
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| Update Date | 2025-03-24 21:30:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01798849 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H10O2 |
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| Molecular Mass | 138.0681 |
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| SMILES | CC1=CC2C(=O)OCC2C1 |
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| InChI Key | FTDDBEJEAGRLDE-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 | oxocins |
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| Subclass | oxocins |
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| Direct Parent | oxocins |
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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 compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compoundoxocin |
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