| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:38:24 UTC |
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| Update Date | 2025-03-21 21:54:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00434450 |
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| Frequency | 4.1 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC=C(CC(=O)O)C(C)=O |
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| InChI Key | NBPYLYJXXNEXMB-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonescarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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