Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:41:51 UTC |
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Update Date | 2025-03-21 17:59:12 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00019438 |
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Frequency | 210.8 |
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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=C(O)CC1OC(=O)C(O)C1O |
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InChI Key | SQGVVUQNDSSVLT-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 | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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