| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:29:10 UTC |
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| Update Date | 2025-03-24 21:12:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01704127 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | CC(=O)C1=COCC(C)C1 |
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| InChI Key | YBJIMIBOCFDXBY-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 | vinylogous esters |
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| Subclass | vinylogous esters |
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| Direct Parent | vinylogous esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxidesoxacyclic compounds |
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| Substituents | ketoneoxacyclecarbonyl grouporganic oxideorganic oxygen compoundvinylogous esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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