input word = C00005885

Metabolite InformationStructural formula
Name Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Formula C42H46O22
Mw 902.24807316
CAS RN 142997-34-0
C_ID C00005885 ,
InChIKey IYWSDKILEAGLBX-ZKZLSIMQNA-N
InChICode InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24-,25+,28-,29+,30+,32-,33-,34+,35+,36+,39-,40+,41-,42+/m0/s1
SMILES CC1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@@H]2OC(COC(=O)/C=C/c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3)[C@@H](O)C(O)C2O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
zoom in