| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:05 UTC |
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| Update Date | 2025-03-21 18:31:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088588 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C13H10N2O2 |
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| Molecular Mass | 226.0742 |
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| SMILES | O=C(O)Cc1nccc2c1[nH]c1ccccc12 |
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| InChI Key | IKGHURAEQOXMHK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | harmala alkaloids |
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| Subclass | harmala alkaloids |
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| Direct Parent | harmala alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsbeta carbolinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
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| Substituents | carbonyl groupcarboxylic acidindolepolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineharmanindole or derivativesmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundpyridoindole |
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