| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:36 UTC |
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| Update Date | 2025-03-21 18:31:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087493 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C16H13NO2 |
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| Molecular Mass | 251.0946 |
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| SMILES | COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1 |
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| InChI Key | KLNHIIYKFBCQQB-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 | carbonyl compounds |
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| Direct Parent | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetherindolebenzoylalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundindolecarboxylic acid derivativevinylogous amideazacyclearyl-phenylketoneheteroaromatic compoundindole or derivativesmethoxybenzeneanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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