| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218631 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O |
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| Molecular Mass | 215.1059 |
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| SMILES | CNCC(O)c1c[nH]c2cc(C#N)ccc12 |
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| InChI Key | LSMKZGYCYYVWBB-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 | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsbenzenoidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesnitrilesorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminenitrileazacycleindoleheteroaromatic compoundsecondary amineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compoundamine |
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