input word = C00005588

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]-7-rhamnoside
Formula C40H52O24
Mw 916.28485259
CAS RN 107585-66-0
C_ID C00005588 ,
InChIKey RFGSFRBMLXKAEM-HRLDCTEINA-N
InChICode InChI=1S/C40H52O24/c1-11-22(43)27(48)31(52)37(57-11)56-10-20-25(46)30(51)36(64-39-33(54)29(50)24(45)13(3)59-39)40(62-20)63-35-26(47)21-17(42)8-15(60-38-32(53)28(49)23(44)12(2)58-38)9-19(21)61-34(35)14-5-6-16(41)18(7-14)55-4/h5-9,11-13,20,22-25,27-33,36-46,48-54H,10H2,1-4H3/t11-,12+,13-,20-,22+,23+,24+,25-,27+,28+,29-,30+,31-,32+,33+,36-,37-,38+,39+,40+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](O)C(O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRhazya stricta Ref.
PlantaePrimulaceaePrimula veris Ref.
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