| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:33 UTC |
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| Update Date | 2025-03-25 00:49:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O7 |
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| Molecular Mass | 274.1053 |
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| SMILES | CCCCC=CC(=O)C(O)C(O)(CC(=O)O)C(=O)O |
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| InChI Key | GXYZEUTXZJGVBV-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 | 1,2-diolsacryloyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty alcoholsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholstertiary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidefatty alcoholhydroxy fatty acid1,2-diolenonealcoholhydroxy acidbranched fatty acidgamma-keto acidtertiary alcoholorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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