| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21ClN6S |
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| Molecular Mass | 400.1237 |
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| SMILES | N=C(NCCSCc1c[nH]c2ccccc12)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | IWHHOVSSISDPFO-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 | guanidines |
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| Direct Parent | 1-arylbiguanides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarboximidamideschlorobenzenesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesiminesindolesorganochloridesorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | monocyclic benzene moietyindoleimineorganochlorideorganosulfur compoundorganohalogen compoundaromatic heteropolycyclic compoundorganopnictogen compound1-arylbiguanideorganoheterocyclic compoundaryl chloridechlorobenzenesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundindole or derivativescarboximidamidearyl halidethioetherpyrrolehydrocarbon derivativebenzenoidhalobenzene |
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