input word = C00011135

Metabolite InformationStructural formula
Name Kaempferol 3-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Kaempferol 3-(2G-glucosylrutinoside)-7-rhamnoside
Formula C39H50O24
Mw 902.26920253
CAS RN 596814-72-1
C_ID C00011135 ,
InChIKey CGBWBDPNSXERKW-GGPDXBSRNA-N
InChICode InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)36(56-11)55-10-19-24(46)29(51)35(63-38-32(54)28(50)23(45)18(9-40)60-38)39(61-19)62-34-25(47)20-16(42)7-15(58-37-31(53)27(49)22(44)12(2)57-37)8-17(20)59-33(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-32,35-46,48-54H,9-10H2,1-2H3/t11-,12-,18-,19-,21+,22-,23+,24-,26-,27+,28-,29+,30+,31+,32-,35-,36-,37+,38-,39+/m0/s1
SMILES CC1O[C@H](OC[C@@H]2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O[C@H]5O[C@@H](C)[C@H](O)C(O)C5O)cc(O)c4c3=O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
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