| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:41 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170876 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O2 |
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| Molecular Mass | 204.0899 |
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| SMILES | CNCc1c(C(=O)O)[nH]c2ccccc12 |
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| InChI Key | KEAMAYDQQUYPMF-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 | amino acidsazacyclic compoundsbenzenoidscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | carboxylic acidamino acid or derivativesamino acidindolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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