| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:35 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O8 |
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| Molecular Mass | 304.1158 |
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| SMILES | O=C1OCC2CC(OC3OC(CO)C(O)C(O)C3O)CC12 |
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| InChI Key | DTBMOPKJNPXCKD-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 heteropolycyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganooxygen compound |
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