| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:09 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11ClN2O2 |
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| Molecular Mass | 250.0509 |
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| SMILES | O=C(O)Cc1cncn1Cc1ccc(Cl)cc1 |
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| InChI Key | AOIVTFNTPKCOAD-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 | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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