input word = C00005964

Metabolite InformationStructural formula
Name Quercetin 3-(3''-acetylrhamnoside)
Formula C23H22O12
Mw 490.11112617
CAS RN 69120-15-6
C_ID C00005964 ,
InChIKey WIEJIBAASUWBGY-VSGJDNCZNA-N
InChICode InChI=1S/C23H22O12/c1-8-17(29)21(33-9(2)24)19(31)23(32-8)35-22-18(30)16-14(28)6-11(25)7-15(16)34-20(22)10-3-4-12(26)13(27)5-10/h3-8,17,19,21,23,25-29,31H,1-2H3/t8-,17-,19-,21+,23-/m0/s1
SMILES CC(=O)OC1[C@@H](O)C(C)O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaePteris grandifolia Ref.
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