| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:33 UTC |
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| Update Date | 2025-03-21 18:32:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092080 |
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| Frequency | 30.4 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C1CCC(CC(=O)C(=O)O)O1 |
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| InChI Key | NKVXZNVYWNJUQO-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-hydroxy ketonesalpha-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofuranalpha-hydroxy ketonecarboxylic acid derivativegamma butyrolactoneketoneoxacycleorganic oxideorganic oxygen compoundketo acidcarboxylic acid esteraliphatic heteromonocyclic compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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