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.
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