| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:49 UTC |
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| Update Date | 2025-03-25 00:47:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CC(O)C(=O)CCC1CCC(=O)O1 |
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| InChI Key | PQNNDCLYBRQJNR-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 | acyloinsalpha-hydroxy ketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativegamma butyrolactoneketoneoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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