| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:31 UTC |
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| Update Date | 2025-03-21 18:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034963 |
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| Frequency | 102.4 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | OCC1C=CC(O)C(O)C1O |
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| InChI Key | ROBFXKQMEHNGMR-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 | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesprimary alcoholssecondary alcohols |
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| Substituents | secondary alcoholaliphatic homomonocyclic compoundcyclitol or derivativeshydrocarbon derivativeprimary alcohol |
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