| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:44:54 UTC |
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| Update Date | 2025-03-24 20:27:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01453844 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC1(C)CCOC2(CO2)O1 |
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| InChI Key | YTLZYJFKZBHXEI-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 | ortho esters |
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| Direct Parent | ortho esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesepoxideshydrocarbon derivativesorthocarboxylic acid derivativesoxacyclic compounds |
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| Substituents | oxacycleortho esteraliphatic heteromonocyclic compoundoxiranehydrocarbon derivativeorthocarboxylic acid derivativemeta-dioxaneorganoheterocyclic compound |
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