| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | CC1(CO)CC(=O)C(C(=O)O)CO1 |
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| InChI Key | ZAYNLHIDOZJLLV-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 | oxanes |
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| Subclass | oxanes |
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| Direct Parent | oxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalcohols and polyolscarboxylic acidscyclic ketonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidcyclic ketonecarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundoxaneorganooxygen compound |
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