| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:55 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H2Cl5N |
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| Molecular Mass | 250.863 |
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| SMILES | ClC1=C(Cl)C2(Cl)NC1C2(Cl)Cl |
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| InChI Key | VGOFDDXYPCTBKB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | nitrogen mustard compounds |
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| Direct Parent | nitrogen mustard compounds |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundsazetidineschloroalkenesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundspyrrolinesvinyl chlorides |
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| Substituents | secondary aliphatic amineazacyclealkyl chloridechloroalkeneorganochloridenitrogen mustardsecondary amineorganohalogen compoundazetidinealiphatic heteropolycyclic compoundpyrrolinevinyl halidehaloalkeneorganopnictogen compoundalkyl halidehydrocarbon derivativevinyl chlorideorganoheterocyclic compoundamine |
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