| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O11 |
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| Molecular Mass | 342.1162 |
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| SMILES | OCC1OC(OC2C(O)OC(CO)C(O)C2O)OC(CO)C1O |
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| InChI Key | NVJBVYKRIFDSPB-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxaneshemiacetalshydrocarbon derivativesmonosaccharidesortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholortho estermonosaccharidecarboxylic acid orthoesteroxacyclesaccharideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneprimary alcoholmeta-dioxaneorganoheterocyclic compoundorganooxygen compound |
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