| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:26 UTC |
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| Update Date | 2025-03-21 18:36:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111413 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(C)COC(=O)c1ccccc1NC=O |
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| InChI Key | GRSDLJCNTPPMNS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | anilidesbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupacylaminobenzoic acid or derivativesbenzoyln-arylamidebenzoate estercarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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