| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O8S |
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| Molecular Mass | 268.0253 |
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| SMILES | O=C(O)CC(O)CC=CCC(=O)OS(=O)(=O)O |
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| InChI Key | NUTQANJLEWMDSP-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidsulfuric acid esterorganooxygen compound |
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