input word = C00005258

Metabolite InformationStructural formula
Name Kaempferol 3-sophorotrioside-7-rhamnoside
Formula C39H50O25
Mw 918.26411715
CAS RN 50906-48-4
C_ID C00005258 ,
InChIKey BFCBWGVCQKVMCS-HZWSJCOENA-N
InChICode InChI=1S/C39H50O25/c1-11-21(45)26(50)30(54)36(56-11)57-14-6-15(44)20-16(7-14)58-32(12-2-4-13(43)5-3-12)33(25(20)49)62-38-35(29(53)24(48)18(9-41)60-38)64-39-34(28(52)23(47)19(10-42)61-39)63-37-31(55)27(51)22(46)17(8-40)59-37/h2-7,11,17-19,21-24,26-31,34-48,50-55H,8-10H2,1H3/t11-,17-,18+,19-,21+,22-,23-,24-,26+,27+,28+,29+,30+,31-,34-,35+,36+,37+,38+,39+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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