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CHEBI:81381 - Scabraside

ChEBI IDCHEBI:81381
ChEBI NameScabraside
Stars
DownloadsMolfile
FormulaC40H44O20
Net Charge0
Average Mass844.772
Monoisotopic Mass844.24259
SMILES[H][C@@]12CCOC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(=O)c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3O)[C@H](OC(C)=O)[C@H]1OC(=O)c1ccccc1)[C@@H]2C=C
InChIInChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3/t21-,22+,26-,27-,29-,30+,31-,32-,33+,34-,38+,39-,40+/m1/s1
InChIKeySABFJVXXJPRXKP-CFWZQYDDSA-N
ChEBI Ontology
Outgoing Relation(s)
Scabraside (CHEBI:81381) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
C17918KEGG COMPOUND
Registry NumbersSources
CAS:87686-79-1KEGG COMPOUND