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CHEBI:81384 - Scopoloside I

Default Structure
ChEBI IDCHEBI:81384
ChEBI NameScopoloside I
Stars
DownloadsMolfile
FormulaC45H72O20
Net Charge0
Average Mass933.051
Monoisotopic Mass932.46169
SMILESCC1COC2(OC3C(O)C4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1
InChIInChI=1S/C45H72O20/c1-17-11-26(49)45(58-16-17)18(2)27-38(65-45)31(52)28-21-6-5-19-12-20(7-9-43(19,3)22(21)8-10-44(27,28)4)59-40-36(57)34(55)37(25(15-48)62-40)63-42-39(33(54)30(51)24(14-47)61-42)64-41-35(56)32(53)29(50)23(13-46)60-41/h5,17-18,20-42,46-57H,6-16H2,1-4H3
InChIKeyRZEWGZBESSWCSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Scopoloside I (CHEBI:81384) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17921KEGG COMPOUND