| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:24 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O6 |
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| Molecular Mass | 328.0947 |
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| SMILES | O=C(Cc1ccc(O)cc1)C(=O)OC(Cc1ccccc1)C(=O)O |
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| InChI Key | RYYNCRHHPNZRKS-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesketonesorganic oxidesphenylpropanoic acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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