Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:14:53 UTC |
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Update Date | 2025-03-21 18:33:50 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00097780 |
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Frequency | 28.2 |
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Structure | |
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Chemical Formula | C7H10O4 |
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Molecular Mass | 158.0579 |
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SMILES | CC1(CC(=O)O)CCC(=O)O1 |
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InChI Key | BDXDVVBIHJISJV-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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Substituents | carbonyl groupcarboxylic acidtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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