input word = C00063892

Metabolite InformationStructural formula
Name Dioscoreanoside A
Formula C45H72O18
Mw 900.4718655
CAS RN 1469752-64-4
C_ID C00063892
InChIKey UFAGSNKCAATUSY-YBGQBIOHSA-N
InChICode InChI=1S/C45H72O18/c1-19-29(47)30(48)33(51)38(57-19)61-36-20(2)58-39(34(52)31(36)49)62-37-27(17-46)60-40(35(53)32(37)50)59-23-9-11-42(5)22(15-23)7-8-24-25(42)10-12-43(6)26(24)16-28-45(43,55)21(3)44(63-28)14-13-41(4,54)18-56-44/h7,19-21,23-40,46-55H,8-18H2,1-6H3/t19-,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(CCC(C)(O)CO7)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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