| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:52 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H29ClN8O2 |
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| Molecular Mass | 436.2102 |
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| SMILES | N=C(NCCCCCNC(=N)N1CCCC1C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | XDDGEYPWHJSESY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineimineorganochlorideorganohalogen compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidepyrrolidineorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativesazacyclecarboximidamidearyl halidearylbiguanidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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