| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:28:10 UTC |
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| Update Date | 2025-03-21 22:19:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00551951 |
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| Frequency | 3.0 |
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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=COC(C)C(O)C1O |
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| InChI Key | KXCBIHNEDRPYPZ-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 | 1,2-diols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | oxacyclealiphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compound1,2-diol |
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