| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:46 UTC |
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| Update Date | 2025-03-25 00:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | CN1c2cccc3[nH]cc(c23)CC1C(=O)O |
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| InChI Key | JUULUBWLYRHVFV-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 | quinolines and derivatives |
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| Subclass | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyridines and derivativespyrrolespyrrolopyridines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineazacyclepyrrolopyridineheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolequinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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