input word = C00063900

Metabolite InformationStructural formula
Name Dioscoreanoside I
Formula C57H92O27
Mw 1208.58259774
CAS RN 1469752-72-4
C_ID C00063900
InChIKey XJGNPRIIZRCPQG-ZEWWLOMVSA-N
InChICode InChI=1S/C57H92O27/c1-20-19-73-56(16-30(20)78-52-43(69)39(65)36(62)31(17-58)79-52)24(5)57(72)33(84-56)15-29-27-9-8-25-14-26(10-12-54(25,6)28(27)11-13-55(29,57)7)77-53-48(83-50-42(68)38(64)35(61)22(3)75-50)45(71)47(32(18-59)80-53)82-51-44(70)40(66)46(23(4)76-51)81-49-41(67)37(63)34(60)21(2)74-49/h8,20-24,26-53,58-72H,9-19H2,1-7H3/t20-,21-,22-,23-,24+,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-,52+,53+,54-,55-,56+,57+/m0/s1
SMILES CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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