| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:44 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19BrN4 |
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| Molecular Mass | 346.0793 |
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| SMILES | N=C(N)NCCCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | FRQWKKZRFCXMHN-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbromobenzenescarboximidamidesguanidinesheteroaromatic compoundshydrocarbon derivativesiminesorganobromidesorganopnictogen compoundspyridines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleguanidineimineheteroaromatic compoundbromobenzenecarboximidamideorganohalogen compoundaryl halidephenylbutylaminepyridineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundhalobenzenearyl bromideorganoheterocyclic compound |
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