input word = C00057987

Metabolite InformationStructural formula
Name YGM 1A
Formula C49H51O26+
Mw 1055.26685681
CAS RN 185044-11-5
C_ID C00057987
InChIKey GLMCQQPCNPVXHL-NVANUELISA-O
InChICode InChI=1S/C49H50O26/c50-16-32-36(58)39(61)42(64)47(72-32)70-30-14-23(52)13-29-24(30)15-31(44(69-29)21-5-9-26(54)28(56)12-21)71-49-45(41(63)38(60)33(74-49)17-67-35(57)10-2-19-1-8-25(53)27(55)11-19)75-48-43(65)40(62)37(59)34(73-48)18-68-46(66)20-3-6-22(51)7-4-20/h1-15,32-34,36-43,45,47-50,58-65H,16-18H2,(H5-,51,52,53,54,55,56,57,66)/p+1/t32-,33-,34-,36-,37-,38-,39+,40+,41+,42-,43-,45-,47-,48+,49-/m1/s1
SMILES OC1=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]4O[C@H](COC(/C=C/C5=CC(O)=C(O)C=C5)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6O[C@H](COC(C7=CC=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@H]6O)C=C2C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
zoom in