| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:43 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N2O |
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| Molecular Mass | 186.0793 |
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| SMILES | O=C1NCCn2c1cc1ccccc12 |
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| InChI Key | KRRWBFJXTNMYOZ-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesazacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | indolecarboxylic acid derivativelactamazacycleindoleheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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