input word = C00033020

Metabolite InformationStructural formula
Name Hemsleyanoside A
Formula C40H42O16
Mw 778.2472853
CAS RN 317820-57-8
C_ID C00033020 ,
InChIKey HYDHYXXMXHPISD-KQVGWNIYNA-N
InChICode InChI=1S/C40H42O16/c41-13-25-32(48)35(51)37(53)39(55-25)30-22(45)10-17(11-23(30)46)28-27(16-3-7-19(44)8-4-16)20(9-15-1-5-18(43)6-2-15)21-12-24(47)31(34(50)29(21)28)40-38(54)36(52)33(49)26(14-42)56-40/h1-12,25-28,32-33,35-54H,13-14H2/b20-9-/t25-,26-,27+,28-,32-,33-,35+,36+,37-,38-,39+,40+/m1/s1
SMILES c1(c(cc2c(c1O)[C@@H]([C@H](/C/2=C\c1ccc(cc1)O)c1ccc(cc1)O)c1cc(c(c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea hemsleyana Ref.
zoom in



OrganismShorea hemsleyana
ReferenceIto,Chem.Pharm.Bull.,48,(2000),1959