| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:19 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO3 |
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| Molecular Mass | 229.0739 |
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| SMILES | C=CC(=O)Cc1c(C(=O)O)[nH]c2ccccc12 |
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| InChI Key | IADOVMVOADPQIV-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 | acryloyl compoundsazacyclic compoundsbenzenoidscarboxylic acidsenonesheteroaromatic compoundshydrocarbon derivativesindolesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidindolealpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundenoneindolecarboxylic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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