| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:46 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15N3O |
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| Molecular Mass | 253.1215 |
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| SMILES | CC(=O)NCCc1c[nH]c2c1ccc1ccncc12 |
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| InChI Key | AHWYUQOPPDQTRD-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupindolepolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazacycleheteroaromatic compoundindole or derivativesmethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundpyrroleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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