input word = C00046924

Metabolite InformationStructural formula
Name Senegose G
(+)-Senegose G
Formula C53H64O29
Mw 1164.35332609
CAS RN 156031-87-7
C_ID C00046924 ,
InChIKey ZRKQSSRWYUKTRH-BQVWKFGPNA-N
InChICode InChI=1S/C53H64O29/c1-24(57)72-22-35-39(63)42(66)44(68)51(76-35)78-46-45(77-37(61)16-12-26-10-14-29(59)31(18-26)71-3)34(21-56)75-52(47(46)79-50-43(67)41(65)38(62)32(19-54)74-50)82-53(23-73-36(60)15-11-25-9-13-28(58)30(17-25)70-2)48(40(64)33(20-55)81-53)80-49(69)27-7-5-4-6-8-27/h4-18,32-35,38-48,50-52,54-56,58-59,62-68H,19-23H2,1-3H3/b15-11+,16-12+/t32-,33-,34-,35-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48+,50+,51+,52-,53+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala senega var.latifolia Ref.
PlantaePolygalaceaePolygala wattersii Ref.
zoom in



OrganismPolygala senega var.latifolia
ReferenceYang, et al., CTHD, 33, (2002), 954