| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:48 UTC |
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| Update Date | 2025-03-21 18:38:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121887 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C7H10O7 |
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| Molecular Mass | 206.0427 |
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| SMILES | O=C1CC(O)(C(=O)O)C(C(O)CO)O1 |
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| InChI Key | BJQKLQOABFKBPD-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 acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofuranalpha-hydroxy acidmonosaccharidehydroxy acidcarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholsaccharideorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary alcoholorganooxygen compound |
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