| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:13 UTC |
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| Update Date | 2025-03-21 18:29:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079541 |
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| Frequency | 36.6 |
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| Structure | |
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| Chemical Formula | C13H13ClN2O2 |
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| Molecular Mass | 264.0666 |
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| SMILES | Clc1ccc(C2(Cn3ccnc3)OCCO2)cc1 |
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| InChI Key | FQBCSFDCVXWWID-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | meta-dioxolanearomatic heteromonocyclic compoundorganochlorideorganohalogen compoundacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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