| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:53:49 UTC |
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| Update Date | 2025-03-21 22:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00613171 |
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| Frequency | 2.6 |
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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)Cn1cccc1 |
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| InChI Key | SDLJOUCIMGIKOD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundalpha-amino acid esterazacycleheteroaromatic compoundsubstituted pyrroleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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