| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12Cl2O5 |
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| Molecular Mass | 294.0062 |
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| SMILES | OCC1OC(Oc2cc(Cl)ccc2Cl)C(O)C1O |
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| InChI Key | LMZDIJZCUOUPSK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl chlorideshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | phenol etheraromatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compoundsaccharideacetalprimary alcoholorganoheterocyclic compoundaryl chloridealcohol1,4-dichlorobenzenetetrahydrofuranaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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