input word = C00005262

Metabolite InformationStructural formula
Name Kaempferol 3-rutinoside-7-sophoroside
Formula C39H50O25
Mw 918.26411715
CAS RN 152503-07-6
C_ID C00005262 ,
InChIKey GTUPIAZMULBSIN-QBJSCVAKNA-N
InChICode InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)28(51)32(55)38(62-19)63-34-25(48)20-15(43)6-14(7-16(20)59-33(34)12-2-4-13(42)5-3-12)58-39-35(29(52)23(46)18(9-41)61-39)64-37-31(54)27(50)22(45)17(8-40)60-37/h2-7,11,17-19,21-24,26-32,35-47,49-55H,8-10H2,1H3/t11-,17-,18-,19+,21-,22+,23+,24+,26-,27-,28+,29-,30-,31+,32+,35+,36+,37-,38-,39+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)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](O)[C@@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum palustre Ref.
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