| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:37 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23ClO11 |
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| Molecular Mass | 390.0929 |
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| SMILES | OCC1OC(OC2C(CO)OC(Cl)C(O)C2O)C(O)C(O)C(O)C1O |
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| InChI Key | LCJISHBWUNCHCA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl chlorideschlorohydrinsdialkyl ethershydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholetherchlorohydrinhalohydrinalkyl chlorideorganochloridemonosaccharideorganohalogen compounddialkyl etheroxepaneoxacyclesaccharideorganic oxygen compoundacetalaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeoxaneprimary alcoholorganooxygen compound |
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