| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:12:53 UTC |
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| Update Date | 2025-03-24 20:13:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01378301 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=CCC1OC(=O)CC1O |
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| InChI Key | PUWQXAWLEAXGJE-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 | alpha-hydrogen aldehydescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidealdehydecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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