input word = C00005263

Metabolite InformationStructural formula
Name Kaempferol 3-gentiobioside-7,4'-diglucoside
Formula C39H50O26
Mw 934.25903177
CAS RN 106900-15-6
C_ID C00005263 ,
InChIKey BFSYDSGBPJMJPN-AOJCIQAUNA-N
InChICode InChI=1S/C39H50O26/c40-7-16-21(44)26(49)30(53)36(61-16)57-10-19-24(47)29(52)33(56)39(64-19)65-35-25(48)20-14(43)5-13(59-38-32(55)28(51)23(46)18(9-42)63-38)6-15(20)60-34(35)11-1-3-12(4-2-11)58-37-31(54)27(50)22(45)17(8-41)62-37/h1-6,16-19,21-24,26-33,36-47,49-56H,7-10H2/t16-,17-,18+,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)c(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)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 nidus Ref.
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