| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:37 UTC |
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| Update Date | 2025-03-25 00:49:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175307 |
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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)OC(C(=O)O)C(O)C(O)C=O |
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| InChI Key | YIMSMFUEKACRFB-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupbeta-hydroxy aldehydecarboxylic acidshort-chain hydroxy acidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydehydroxy fatty acid1,2-diolenoate esteralcoholaldehydefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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