| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:06 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O9 |
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| Molecular Mass | 306.0951 |
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| SMILES | O=C1C=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
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| InChI Key | KPABCBKGVBOGSH-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 | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscyclitols and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcyclohexenonemonosaccharidecyclitol or derivativesoxacyclesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound |
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