| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:16 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O9 |
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| Molecular Mass | 404.1107 |
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| SMILES | O=C(CCC(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O)Cc1ccc(O)c(O)c1 |
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| InChI Key | PBPZVLOBDWVHKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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