| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:44 UTC |
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| Update Date | 2025-03-21 18:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035468 |
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| Frequency | 100.5 |
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| Structure | |
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| Chemical Formula | C4H6O2 |
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| Molecular Mass | 86.0368 |
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| SMILES | CC(O)=CC=O |
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| InChI Key | MRAJDYPEXQBSLZ-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 acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundvinylogous acidcarbonyl grouporganic oxideshort-chain aldehydeorganic oxygen compoundaldehydehydrocarbon derivativeorganooxygen compound |
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