| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O9 |
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| Molecular Mass | 418.1264 |
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| SMILES | O=C(CCC(=O)OCOC(=O)CCc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1 |
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| InChI Key | CCZGNEGMBHNNAB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesketonesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundacylalfatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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