input word = C00013915

Metabolite InformationStructural formula
Name Isorhamnetin 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside
Quercetin 3'-methyl ether 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN
C_ID C00013915 ,
InChIKey GUDFTJNDUNRMLG-SOLHZELXNA-N
InChICode InChI=1S/C33H40O20/c1-10-20(38)29(52-31-25(43)21(39)15(37)8-47-31)27(45)32(49-10)48-9-18-22(40)24(42)26(44)33(51-18)53-30-23(41)19-14(36)6-12(34)7-17(19)50-28(30)11-3-4-13(35)16(5-11)46-2/h3-7,10,15,18,20-22,24-27,29,31-40,42-45H,8-9H2,1-2H3/t10-,15-,18+,20-,21-,22+,24-,25-,26-,27-,29+,31-,32+,33-/m0/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O[C@@H]4OC[C@@H](O)[C@H](O)C4O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeHammada scoparia Ref.
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