input word = C00013820

Metabolite InformationStructural formula
Name Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside)
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O20
Mw 770.22694379
CAS RN 345306-69-6
C_ID C00013820 ,
InChIKey DYZZIAIGKSRPMS-FTHOECKANA-N
InChICode InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11-,17-,18+,20-,21-,22-,24+,25-,26-,27-,28+,31+,32+,33-,34-/m0/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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