| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12I2N2O2 |
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| Molecular Mass | 457.8988 |
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| SMILES | O=C1NCCNC1Cc1cc(I)c(O)c(I)c1 |
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| InChI Key | OBHPRTNORPVCCQ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshalophenolshydrocarbon derivativesiodobenzeneslactamso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundspiperazinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxidepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycle2-iodophenolsecondary aminecarboxamide grouparyl halide2-halophenolsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanephenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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