CHEBI:216817 - Thielavin U

ChEBI IDCHEBI:216817
ChEBI NameThielavin U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O8
Net Charge0
Average Mass480.513
Monoisotopic Mass480.17842
SMILESCc1cc(O)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)cc3O)c(C)c2O)c1C
InChIInChI=1S/C27H28O8/c1-11-9-19(29)16(6)24(13(11)3)34-27(33)22-14(4)15(5)25(17(7)23(22)31)35-26(32)21-12(2)8-18(28)10-20(21)30/h8-10,28-31H,1-7H3
InChIKeyAJZDPYIXYWYKSD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Setophomaspecies (ncbitaxon:1868165) - PubMed (25586883)
ChEBI Ontology
Outgoing Relation(s)
Thielavin U (CHEBI:216817) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
Manual XrefsDatabases
78435910ChemSpider