| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:12 UTC |
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| Update Date | 2025-03-21 18:32:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093700 |
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| Frequency | 29.7 |
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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 | COC=CC=O |
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| InChI Key | XJQSLJZYZFSHAI-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 acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxideshort-chain aldehydeorganic oxygen compoundvinylogous esteraldehydehydrocarbon derivativeorganooxygen compound |
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