| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:42 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219142 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N2O3 |
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| Molecular Mass | 270.1004 |
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| SMILES | COc1ccc2c(c1)c1ccnc(C)c1n2CC(=O)O |
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| InChI Key | UBMOEKMHWILMHM-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-halopyridinesalkyl aryl ethersalpha amino acids and derivativesanisolesazacyclic compoundsbeta carbolinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmethylpyridinesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessubstituted pyrroles |
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| Substituents | phenol ethercarbonyl groupethern-alkylindolecarboxylic acidindolepolyhalopyridinealpha-amino acid or derivativessubstituted pyrrolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineharmanindole or derivativesmethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolepyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundpyridoindole |
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