| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:06 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224669 |
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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 | NCCc1ccc2cc(Cl)ccc2c1 |
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| InChI Key | IGVOZMZRCMHGNU-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 | naphthalenes |
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| Subclass | chloronaphthalenes |
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| Direct Parent | chloronaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl chlorideshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chlorideorganochloridechloronaphthalenearomatic homopolycyclic compoundorganohalogen compoundaryl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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