| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:06 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N2O4 |
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| Molecular Mass | 326.1267 |
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| SMILES | Cc1c(CCC(=O)O)c(CCC(=O)O)nc2[nH]c3ccccc3c12 |
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| InChI Key | SAFDEPJQRNKBQR-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 | pyridoindoles |
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| Direct Parent | alpha carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolespyrrolopyridines |
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| Substituents | carbonyl groupcarboxylic acidindolepolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativealpha-carbolinebenzenoidorganic nitrogen compoundorganooxygen compound |
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