| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:57 UTC |
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| Update Date | 2025-03-21 18:32:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090674 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | CCOC(=O)c1c[nH]c2ccc(OC)cc12 |
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| InChI Key | JCFBDEMCPUONPI-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 ethersanisolesazacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | phenol etheretherpyrrole-3-carboxylic acid or derivativesindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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