| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:11 UTC |
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| Update Date | 2025-03-25 00:47:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165167 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O9 |
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| Molecular Mass | 308.1107 |
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| SMILES | CC1OC(OC2CC(O)C(CO)OC2=O)C(O)C(O)C1O |
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| InChI Key | YQSTVRQZXLZGIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesacetalgluconolactonecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholdelta_valerolactoneorganoheterocyclic compound |
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