input word = C00063893

Metabolite InformationStructural formula
Name Dioscoreanoside B
Formula C51H82O22
Mw 1046.52977431
CAS RN 1469752-65-5
C_ID C00063893
InChIKey VEKKBIJCTIHAIV-QJSBBTAESA-N
InChICode InChI=1S/C51H82O22/c1-20-31(53)33(55)36(58)43(65-20)70-40-22(3)67-45(38(60)35(40)57)71-41-29(18-52)69-46(42(39(41)61)72-44-37(59)34(56)32(54)21(2)66-44)68-25-10-12-48(6)24(16-25)8-9-26-27(48)11-13-49(7)28(26)17-30-51(49,63)23(4)50(73-30)15-14-47(5,62)19-64-50/h8,20-23,25-46,52-63H,9-19H2,1-7H3/t20-,21-,22-,23+,25-,26+,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49-,50+,51+/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(OC4OC(C)C(O)C(O)C4O)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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