input word = C00013817

Metabolite InformationStructural formula
Name Kaempferol 7-methyl ether 3-(6-(E)-3,5-dimethoxy-4-hydroxycinnamoylglucosyl)-(1->2)-[rhamnosyl-(1->6)-glucoside]
3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C45H52O24
Mw 976.28485259
CAS RN 319481-52-2
C_ID C00013817 ,
InChIKey HMWRFNIHECWLNB-HPNSVFNVNA-N
InChICode InChI=1S/C45H52O24/c1-17-30(49)35(54)38(57)43(64-17)63-16-27-33(52)37(56)42(45(67-27)68-41-34(53)29-22(47)13-21(59-2)14-23(29)65-40(41)19-6-8-20(46)9-7-19)69-44-39(58)36(55)32(51)26(66-44)15-62-28(48)10-5-18-11-24(60-3)31(50)25(12-18)61-4/h5-14,17,26-27,30,32-33,35-39,42-47,49-52,54-58H,15-16H2,1-4H3/b10-5+/t17-,26+,27+,30-,32+,33+,35+,36-,37-,38-,39+,42-,43+,44-,45-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCestrum nocturnum Ref.
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