input word = C00013798

Metabolite InformationStructural formula
Name Kaempferol 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside-7-glucoside
3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C42H46O22
Mw 902.24807316
CAS RN 368264-85-1
C_ID C00013798 ,
InChIKey JZQLBOJBAPXUPX-RRYPAOSKNA-N
InChICode InChI=1S/C42H46O22/c1-16-28(49)32(53)39(64-41-35(56)33(54)37(25(15-44)61-41)62-26(48)11-4-17-2-7-19(45)8-3-17)42(57-16)63-38-30(51)27-22(47)12-21(58-40-34(55)31(52)29(50)24(14-43)60-40)13-23(27)59-36(38)18-5-9-20(46)10-6-18/h2-13,16,24-25,28-29,31-35,37,39-47,49-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,31-,32+,33-,34+,35+,37+,39-,40+,41-,42-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/c1ccc(cc1)O)O)O)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
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OrganismGinkgo biloba
ReferenceTang,Phytochem.,58,(2001),1251