input word = C00060136

Metabolite InformationStructural formula
Name Yunganoside K2
Formula C42H62O17
Mw 838.39870056
CAS RN 156980-51-7
C_ID C00060136
InChIKey AJNHVDTWPCYIJI-UHFFFAOYSA-N
InChICode InChI=1S/C42H62O17/c1-37(36(54)55)15-19-18-7-8-21-39(3)11-10-23(40(4,17-43)20(39)9-12-42(21,6)41(18,5)14-13-38(19,2)22(44)16-37)56-35-31(27(48)26(47)30(58-35)33(52)53)59-34-28(49)24(45)25(46)29(57-34)32(50)51/h7,19-21,23-31,34-35,43,45-49H,8-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)
SMILES CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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