| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:35 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | OCC1OC2OC=CC1O2 |
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| InChI Key | BUBZKDLEPYMSRB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | orthocarboxylic acid derivatives |
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| Subclass | carboxylic acid orthoesters |
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| Direct Parent | carboxylic acid orthoesters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolaneshydrocarbon derivativesortho estersoxacyclic compoundsprimary alcohols |
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| Substituents | alcoholmeta-dioxolaneortho estercarboxylic acid orthoesteraliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundhydrocarbon derivativeprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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