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CHEBI:175560 - 3-O-Acetylepisamarcandin

ChEBI IDCHEBI:175560
ChEBI Name3-O-Acetylepisamarcandin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O6
Net Charge0
Average Mass442.552
Monoisotopic Mass442.23554
SMILESCC(=O)OC1CCC2(C)C(COc3ccc4ccc(=O)oc4c3)C(C)(O)CCC2C1(C)C
InChIInChI=1S/C26H34O6/c1-16(27)31-22-11-12-25(4)20(24(22,2)3)10-13-26(5,29)21(25)15-30-18-8-6-17-7-9-23(28)32-19(17)14-18/h6-9,14,20-22,29H,10-13,15H2,1-5H3
InChIKeyRIPKCRCUFJSKKD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Acetylepisamarcandin (CHEBI:175560) is a coumarins (CHEBI:23403)
IUPAC Name 
[6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Manual XrefsDatabases
HMDB0031958HMDB
2350861ChemSpider