| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:31 UTC |
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| Update Date | 2025-03-21 18:41:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132981 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | CC(C)OC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | CWKLKSRIXHQJFG-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 | azacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | indolecarboxylic acid derivativevinylogous amideazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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