input word = C00005257

Metabolite InformationStructural formula
Name Kaempferol 3-sophorotrioside-7-glucoside
Formula C39H50O26
Mw 934.25903177
CAS RN
C_ID C00005257 ,
InChIKey HMXKVNAQDJJUTH-MWNRCFTMNA-N
InChICode InChI=1S/C39H50O26/c40-7-16-21(46)26(51)30(55)36(59-16)57-13-5-14(45)20-15(6-13)58-32(11-1-3-12(44)4-2-11)33(25(20)50)63-38-35(29(54)24(49)18(9-42)61-38)65-39-34(28(53)23(48)19(10-43)62-39)64-37-31(56)27(52)22(47)17(8-41)60-37/h1-6,16-19,21-24,26-31,34-49,51-56H,7-10H2/t16-,17+,18-,19+,21+,22+,23+,24+,26-,27-,28-,29-,30-,31+,34+,35+,36+,37-,38-,39-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium septentrionale Ref.
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