input word = C00013787

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)
Formula C40H40O22
Mw 872.20112297
CAS RN 219745-02-5
C_ID C00013787 ,
InChIKey PXPLBUCEWACUGN-FEGGPPKTNA-N
InChICode InChI=1S/C40H40O22/c1-55-22-10-16(2-8-20(22)44)3-9-27(48)60-37-33(53)30(50)24(14-41)58-39(37)62-38-34(54)31(51)25(15-56-28(49)13-26(46)47)59-40(38)61-36-32(52)29-21(45)11-19(43)12-23(29)57-35(36)17-4-6-18(42)7-5-17/h2-12,24-25,30-31,33-34,37-45,50-51,53-54H,13-15H2,1H3,(H,46,47)/b9-3+/t24-,25-,30-,31-,33+,34+,37-,38-,39+,40+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePetunia hybrida cv. Mitchell Ref.
zoom in