| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:04 UTC |
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| Update Date | 2025-03-21 18:38:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120127 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C10H8N2O2 |
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| Molecular Mass | 188.0586 |
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| SMILES | N#Cc1ccc2c(c1)CC(C(=O)O)N2 |
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| InChI Key | VENCRFXTZQVOFO-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupnitrilecarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindolecarbonitrileazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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