input word = C00005680

Metabolite InformationStructural formula
Name Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Formula C24H26O13
Mw 522.13734092
CAS RN 144599-13-3
C_ID C00005680 ,
InChIKey VTCZMESXVXCSOM-RRIXFKECNA-N
InChICode InChI=1S/C24H26O13/c1-32-11-5-4-9(6-12(11)33-2)21-23(37-24-20(31)19(30)16(27)14(8-25)36-24)18(29)15-13(35-21)7-10(26)22(34-3)17(15)28/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19-,20+,24+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)OC)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica montana Ref.
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