| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:41 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4 |
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| Molecular Mass | 299.1158 |
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| SMILES | Nc1ccccc1C(=O)CC(O)(Cc1ccccc1)C(=O)O |
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| InChI Key | OFRRKQZHZXHNBR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminestertiary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylnorlignan skeletoncarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidehydroxy acidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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