input word = C00064476

Metabolite InformationStructural formula
Name Emodin-8-O-beta-gentiobioside
Formula C27H30O15
Mw 594.15847029
CAS RN 66466-22-6
C_ID C00064476
InChIKey CAWCIUJVWYETGQ-ONMHTNRHSA-N
InChICode InChI=1S/C27H30O15/c1-8-2-10-16(12(30)3-8)21(34)17-11(18(10)31)4-9(29)5-13(17)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus alaternus Ref.
PlantaeRhamnaceaeRhamnus catharticus Ref.
PlantaeRhamnaceaeRhamnus saxatilis Ref.
zoom in