CHEBI:210199 - Thielavin K

ChEBI IDCHEBI:210199
ChEBI NameThielavin K
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SubmitterMetaboLights
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FormulaC30H32O10
Net Charge0
Average Mass552.576
Monoisotopic Mass552.19955
SMILESCOc1c(C)c(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(O)c1C
InChIInChI=1S/C30H32O10/c1-11-10-19(31)16(6)23(32)20(11)29(36)40-26-15(5)13(3)22(27(38-9)18(26)8)30(37)39-25-14(4)12(2)21(28(34)35)24(33)17(25)7/h10,31-33H,1-9H3,(H,34,35)
InChIKeyIGYZEKLJQWCRPT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (12546415)
ChEBI Ontology
Outgoing Relation(s)
Thielavin K (CHEBI:210199) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
Manual XrefsDatabases
9115858ChemSpider