input word = C00006020

Metabolite InformationStructural formula
Name Quercetagetin 7-(6''-acetylglucoside)
Formula C23H22O14
Mw 522.10095541
CAS RN 168293-29-6
C_ID C00006020 ,
InChIKey GKPUGKBFSRZAIC-SQIJDGMENA-N
InChICode InChI=1S/C23H22O14/c1-7(24)34-6-13-16(28)19(31)21(33)23(37-13)36-12-5-11-14(17(29)15(12)27)18(30)20(32)22(35-11)8-2-3-9(25)10(26)4-8/h2-5,13,16,19,21,23,25-29,31-33H,6H2,1H3/t13-,16-,19+,21-,23-/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium glandulosum Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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