| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO3 |
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| Molecular Mass | 267.0895 |
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| SMILES | O=C(O)c1cc2cc(O)ccc2n1Cc1ccccc1 |
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| InChI Key | ZCCCXGHBZMIXIX-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | monocyclic benzene moietyn-alkylindolecarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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