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CHEBI:215208 - Simplicildone C

Default Structure
ChEBI IDCHEBI:215208
ChEBI NameSimplicildone C
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SubmitterMetaboLights
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FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCc1cc(O)c(C)c2c1Oc1c3c(cc(C)c1C(=O)O2)OC(C)(C)OC3
InChIInChI=1S/C20H20O6/c1-9-7-14-12(8-23-20(4,5)26-14)18-15(9)19(22)25-17-11(3)13(21)6-10(2)16(17)24-18/h6-7,21H,8H2,1-5H3
InChIKeyXOGWIERIESLULB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (28803995)
ChEBI Ontology
Outgoing Relation(s)
Simplicildone C (CHEBI:215208) is a aromatic ether (CHEBI:35618)
IUPAC Name 
10-hydroxy-3,3,6,9,12-pentamethyl-1H-[1,3]benzodioxino[6,5-c][1,5]benzodioxepin-7-one
Manual XrefsDatabases
78436051ChemSpider