input word = C00013782

Metabolite InformationStructural formula
Name Kaempferol 3-(2G-(E)-p-coumaroylrutinoside)
3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C36H36O17
Mw 740.19524973
CAS RN 194292-74-5
C_ID C00013782 ,
InChIKey GOLQQIJBGPATQF-PXNAFPQONA-N
InChICode InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26+,27-,29+,30+,31+,34+,35-,36+/m1/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)OC(=O)/C=C/c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAlibertia sessilis Ref.
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