| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:16 UTC |
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| Update Date | 2025-03-21 17:56:55 UTC |
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| HMDB ID | HMDB0256276 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004466 |
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| Name | Pentane-2,3-diol |
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| Frequency | 1257.8 |
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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 | CCC(O)C(C)O |
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| InChI Key | XLMFDCKSFJWJTP-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 derivativessecondary alcohols |
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| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative1,2-diol |
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