| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | O=C(O)C(=O)C=CCCCCO |
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| InChI Key | SWAHFLSAVHYCDA-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalcohols and polyolsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsenonesfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholalpha-keto acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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