| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:33 UTC |
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| Update Date | 2025-03-25 00:48:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | CC1=CCC2OC(=O)C(C)=CCC2C1 |
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| InChI Key | WAUKPESRXTULEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enoate esters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl grouplactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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