Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:42 UTC |
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Update Date | 2025-03-21 18:34:12 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099736 |
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Frequency | 27.5 |
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Structure | |
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Chemical Formula | C7H9NO2 |
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Molecular Mass | 139.0633 |
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SMILES | COC(=O)c1cccn1C |
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InChI Key | APHVGKYWHWFAQV-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 | pyrroles |
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Subclass | pyrrole carboxylic acids and derivatives |
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Direct Parent | pyrrole carboxylic acids and derivatives |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrroles |
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Substituents | n-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundpyrrole-2-carboxylic acid or derivativescarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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