CHEBI:81385 - Scopoloside II

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ChEBI Name Scopoloside II
ChEBI ID CHEBI:81385
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H62O15
Net Charge 0
Average Mass 770.90060
Monoisotopic Mass 770.40887
InChI InChI=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
InChIKey JIVFLIFXUQEQBB-UHFFFAOYSA-N
SMILES CC1C2C(OC11OCC(C)CC1O)C(O)C1C3CC=C4CC(CCC4(C)C3CCC21C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
ChEBI Ontology
Outgoing Scopoloside II (CHEBI:81385) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17922 KEGG COMPOUND
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