| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:10 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15ClN2O4 |
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| Molecular Mass | 310.072 |
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| SMILES | OCC1OC(Cn2ccnc2)(c2ccc(Cl)cc2)OC1O |
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| InChI Key | WUBWJDKTIQSFCZ-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 | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesaryl chloridesazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcohols |
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| Substituents | meta-dioxolanearomatic heteromonocyclic compoundorganochlorideorganohalogen compoundacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzenealcoholazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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