| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O |
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| Molecular Mass | 177.0902 |
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| SMILES | NC(=O)c1cccc2c1NCCN2 |
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| InChI Key | OLBSIESEKICGND-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 | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amideazacycleamino acid or derivativescarboxamide groupcarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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