Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 12:11:35 UTC |
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Update Date | 2025-03-24 21:31:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01804965 |
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Frequency | 0.7 |
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Structure | |
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Chemical Formula | C4H8O3 |
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Molecular Mass | 104.0473 |
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SMILES | OCC1(O)CC1O |
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InChI Key | BMNXUJQSPJSGAE-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 | tertiary alcohols |
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Geometric Descriptor | aliphatic homomonocyclic compounds |
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Alternative Parents | cyclic alcohols and derivativeshydrocarbon derivativessecondary alcohols |
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Substituents | tertiary alcoholsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecyclopropanol |
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