input word = C00013859

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->4)-rhamnoside-7-rutinoside
3-[(6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Formula C39H50O25
Mw 918.26411715
CAS RN 187410-77-1
C_ID C00013859 ,
InChIKey QLLBJLPRDZPFEQ-BWXGILPENA-N
InChICode InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22+,23+,25-,26-,27-,28-,29-,30+,31+,32-,33-,36+,37-,38+,39-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(C)[C@H](O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)C(O)[C@@H]5O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeMyrsine africana Ref.
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