| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:06 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004087 |
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| Frequency | 1394.4 |
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| Structure | |
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| Chemical Formula | C5H12O2 |
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| Molecular Mass | 104.0837 |
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| SMILES | CC(C)C(O)CO |
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| InChI Key | HJJZIMFAIMUSBW-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 acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesprimary alcoholssecondary alcohols |
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| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcohol1,2-diol |
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