| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:53 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157727 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O6 |
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| Molecular Mass | 204.0634 |
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| SMILES | O=C(O)CCC1(O)CC(=O)OC1CO |
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| InChI Key | HYBVBOJFEKNKCM-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 derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholsaccharideorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary alcoholorganooxygen compound |
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