| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:32 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O |
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| Molecular Mass | 217.1215 |
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| SMILES | Cn1cc(CCNC(N)=O)c2ccccc21 |
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| InChI Key | IJFRFJMQYSZIIO-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesn-methylpyrrolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupn-methylpyrrolecarbonic acid derivativen-alkylindoleazacycleindoleheteroaromatic compoundsubstituted pyrroleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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