| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:08 UTC |
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| Update Date | 2025-03-21 18:32:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091098 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C8H11NO2 |
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| Molecular Mass | 153.079 |
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| SMILES | CCCOC(=O)c1ccc[nH]1 |
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| InChI Key | UDGJAVHADMBUGS-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 compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrole-2-carboxylic acid or derivativescarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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