| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:12 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12ClN |
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| Molecular Mass | 205.0658 |
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| SMILES | Cc1ccc(C)n1-c1ccc(Cl)cc1 |
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| InChI Key | NNKFIFOSLJJRES-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 compoundsheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aryl chloridechlorobenzenearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundsubstituted pyrroleorganohalogen compoundaryl halidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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