| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:55 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9Cl2NO2 |
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| Molecular Mass | 245.001 |
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| SMILES | O=C(O)CC1NCc2cc(Cl)c(Cl)cc21 |
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| InChI Key | NVIPBRYSCYDISW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloridesecondary aliphatic amineazacycleisoindolesecondary aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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