| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:14 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O |
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| Molecular Mass | 188.095 |
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| SMILES | O=C1NCCC2c3ccccc3NC12 |
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| InChI Key | PDPZYANCTAMLLF-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 | indoles and derivatives |
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| Subclass | pyridoindoles |
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| Direct Parent | beta carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdelta lactamshydrocarbon derivativesindolecarboxylic acids and derivativesindolesindolinesorganic oxidesorganopnictogen compoundspiperidinonessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamamino acid or derivativesindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonedihydroindolepiperidineindolecarboxylic acid derivativeazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminedelta-lactamsecondary carboxylic acid amideorganic oxygen compoundbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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