Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:26:01 UTC |
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Update Date | 2025-03-21 18:39:14 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00124690 |
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Frequency | 20.6 |
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Structure | |
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Chemical Formula | C6H8O6 |
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Molecular Mass | 176.0321 |
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SMILES | O=C1OC(C(O)C(=O)O)CC1O |
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InChI Key | YEOSORXCEYCBPW-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 derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofuranalpha-hydroxy acidhydroxy acidcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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