Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-05-14 22:08:28 UTC Update Date 2022-08-31 06:21:37 UTC MiMeDB ID MMDBc0003898 Metabolite Identification Common Name (3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one Description Structure Synonyms Not Available Chemical Formula C12 H16 O3 Average Molecular Weight 208.257 Monoisotopic Molecular Weight 208.109944375 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C12H16O3/c1-6(9(4)13)10-5-11(14)8(3)12(15)7(10)2/h5-6,14-15H,1-4H3/t6-/m1/s1
InChI Key NIJXMDSDVNFHJC-ZCFIWIBFSA-N Chemical Taxonomy Functional Ontology Not Available Physical Properties State Expected Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Not Available Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Not Available
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Fungi Ascomycota 1 Human Feces Metabolic reconstruction
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference
External Links External Links Not Available References Synthesis Reference Not Available General References van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]
