| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:26 UTC |
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| Update Date | 2025-03-21 18:06:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063169 |
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| Frequency | 48.9 |
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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 | CC(=O)NCCc1c[nH]c2ccc(N)cc12 |
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| InChI Key | SHBKRHCDWOOOIB-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 | acetamidesamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupazacycleamino acid or derivativesindoleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineacetamideorganooxygen compound |
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