input word = C00063902

Metabolite InformationStructural formula
Name Dioscoreanoside K
Formula C45H72O19
Mw 916.46678012
CAS RN 1469752-74-6
C_ID C00063902
InChIKey UGWHVQQGJOHHBA-QFMSDMBJSA-N
InChICode InChI=1S/C45H72O19/c1-18-30(49)31(50)34(53)39(58-18)62-37-19(2)59-40(35(54)32(37)51)63-38-27(16-47)61-41(36(55)33(38)52)60-23-8-10-42(4)22(13-23)6-7-24-25(42)9-11-43(5)26(24)14-29-44(43,56)20(3)45(64-29)28(48)12-21(15-46)17-57-45/h6,18-21,23-41,46-56H,7-17H2,1-5H3/t18-,19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1
SMILES CC1OC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(OCC(CO)CC7O)C(C)C65O)C4)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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