| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:02:19 UTC |
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| Update Date | 2025-03-21 23:05:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00632721 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | CCC(=O)C(C)=CC=O |
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| InChI Key | QRWKIWURUNGHLX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | medium-chain aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundalpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidehydrocarbon derivativeacryloyl-groupenone |
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