EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81385 - Scopoloside II

Default Structure
ChEBI IDCHEBI:81385
ChEBI NameScopoloside II
Stars
DownloadsMolfile
FormulaC39H62O15
Net Charge0
Average Mass770.910
Monoisotopic Mass770.40887
SMILESCC1COC2(OC3C(O)C4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1
InChIInChI=1S/C39H62O15/c1-16-11-24(42)39(49-15-16)17(2)25-34(54-39)28(44)26-20-6-5-18-12-19(7-9-37(18,3)21(20)8-10-38(25,26)4)50-35-32(48)30(46)33(23(14-41)52-35)53-36-31(47)29(45)27(43)22(13-40)51-36/h5,16-17,19-36,40-48H,6-15H2,1-4H3
InChIKeyJIVFLIFXUQEQBB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Scopoloside II (CHEBI:81385) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17922KEGG COMPOUND