| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:17 UTC |
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| Update Date | 2025-03-21 18:32:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089079 |
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| Frequency | 31.7 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | OC1C(O)C(O)C2OCC2C1O |
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| InChI Key | SMYYUZJXEMEEEF-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 | alcohols and polyols |
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| Direct Parent | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | dialkyl ethershydrocarbon derivativesoxacyclic compoundsoxetanessecondary alcohols |
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| Substituents | ethercyclitol or derivativesdialkyl etheraliphatic heteropolycyclic compoundoxacycleoxetanesecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
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