| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:51 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H31ClN6O2 |
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| Molecular Mass | 470.2197 |
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| SMILES | COc1ccc(C=CC(=O)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 |
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| InChI Key | QETJYOPYAVOOSK-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboximidamidescarboxylic acids and derivativeschlorobenzenescinnamic acids and derivativeshydrocarbon derivativesiminesmethoxybenzenesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherimineorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundcinnamic acid or derivativesorganic oxideorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidecarboxamide groupmethoxybenzenearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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