| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:29:07 UTC |
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| Update Date | 2025-03-21 19:18:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00271677 |
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| Frequency | 7.5 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CCC(O)=C(C=O)CC |
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| InChI Key | NNQDUKOTSXYXHR-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 | aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundvinylogous acidcarbonyl grouporganic oxideorganic oxygen compoundaldehydehydrocarbon derivativeorganooxygen compound |
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