| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:02 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11ClN8 |
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| Molecular Mass | 302.0795 |
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| SMILES | Nc1nc(N)c2c(Nc3ccc(Cl)cc3)nc(N)nc2n1 |
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| InChI Key | FGNMALJTSAQNDA-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 heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganochloridesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary amines |
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| Substituents | aryl chloridechlorobenzeneazacycleorganochlorideheteroaromatic compoundsecondary amineorganohalogen compoundaryl halidepyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganoheterocyclic compound |
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