| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:05 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23ClO9 |
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| Molecular Mass | 358.1031 |
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| SMILES | OCC1CC(OC2OC(CO)C(Cl)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | RTJBCGCTHMTWPD-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 | cyclohexanols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl chlorideschlorohydrinscyclitols and derivativeshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesprimary alcohols |
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| Substituents | chlorohydrinhalohydrinalkyl chlorideorganochloridecyclohexanolmonosaccharidecyclitol or derivativescyclic alcoholorganohalogen compoundoxacyclesaccharideacetalaliphatic heteromonocyclic compoundalkyl halidehydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound |
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