| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:49:47 UTC |
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| Update Date | 2025-03-25 01:12:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02315430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5ClN2 |
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| Molecular Mass | 140.0141 |
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| SMILES | Clc1ccc2[nH][nH]c2c1 |
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| InChI Key | ROFJOVYCWKYYGH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chlorideazacycleorganochlorideheteroaromatic compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compound |
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