input word = C00013918

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Quercetin 3'-methyl ether 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Formula C40H52O26
Mw 948.27468184
CAS RN
C_ID C00013918 ,
InChIKey RLTSFAYAZSBQAN-DXUDERKMNA-N
InChICode InChI=1S/C40H52O26/c1-11-22(45)27(50)32(55)38(60-11)66-36-30(53)25(48)20(9-58-37-31(54)28(51)23(46)18(8-41)62-37)64-40(36)59-10-19-24(47)29(52)33(56)39(63-19)65-35-26(49)21-15(44)6-13(42)7-17(21)61-34(35)12-3-4-14(43)16(5-12)57-2/h3-7,11,18-20,22-25,27-33,36-48,50-56H,8-10H2,1-2H3/t11-,18+,19+,20+,22-,23-,24-,25-,27-,28-,29-,30-,31-,32-,33-,36-,37+,38-,39-,40+/m0/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium neapolitanum Ref.
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OrganismAllium neapolitanum
ReferenceCarotenuto,Phytochem.,44,(1997),949