| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O6 |
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| Molecular Mass | 230.079 |
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| SMILES | O=C(O)CC=CC(=O)C(O)CCCC(=O)O |
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| InChI Key | RWMSLESFYNGJOY-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsacyloinsalpha-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidefatty alcoholmedium-chain fatty acidhydroxy fatty acidenonealcoholorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compound |
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