| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:47 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O9S |
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| Molecular Mass | 298.0359 |
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| SMILES | O=C(CCCCC1OC(=O)C(O)C1O)OS(=O)(=O)O |
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| InChI Key | OUHCKMPPNLPBRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativestetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound1,2-diol |
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