input word = C00006245

Metabolite InformationStructural formula
Name Orobol 6,8-di-C-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 118949-94-3
C_ID C00006245 ,
InChIKey RPKHTKXJJJHYOC-UJERCXCKNA-N
InChICode InChI=1S/C27H30O16/c28-4-11-17(33)21(37)23(39)26(42-11)14-19(35)13-16(32)8(7-1-2-9(30)10(31)3-7)6-41-25(13)15(20(14)36)27-24(40)22(38)18(34)12(5-29)43-27/h1-3,6,11-12,17-18,21-24,26-31,33-40H,4-5H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
SMILES O=c1c(-c2ccc(O)c(O)c2)coc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia nitidula Ref.
PlantaeFabaceaeDalbergia paniculata Ref.
zoom in