| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:22 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO6 |
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| Molecular Mass | 265.0586 |
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| SMILES | COc1ccc(NC=O)c(C(=O)C(=O)CC(=O)O)c1 |
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| InChI Key | WCXPOSXERJAEHP-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-diketonesanilidesanisolesaryl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | beta-hydroxy ketonephenol ethercarbonyl groupethercarboxylic acidbenzoyln-arylamidealkyl aryl ethercarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarboxamide groupmethoxybenzenealpha-diketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundaryl ketone |
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