| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N3O2 |
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| Molecular Mass | 229.0851 |
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| SMILES | NC(=O)c1cccnc1Oc1ccc(N)cc1 |
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| InChI Key | JJDHGKBHJLPSMM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidespyridinecarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidediaryl etherpyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide grouppyridinehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamine |
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