| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:31 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154708 |
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| Frequency | 0.5 |
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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(-c2[nH]c3ccccc3c2C=O)cc1 |
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| InChI Key | QIMWZVMNUAWWSJ-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetherindolealkyl aryl etherorganic oxidearyl-aldehydearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundaldehydemethoxybenzeneorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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