input word = C00005960

Metabolite InformationStructural formula
Name Quercetin 3-(3''-p-coumarylglucoside)
Formula C30H26O14
Mw 610.13225554
CAS RN 70286-61-2,67214-04-4
C_ID C00005960 ,
InChIKey KKRGPGRSBFMOKP-CFQYDXPINA-N
InChICode InChI=1S/C30H26O14/c31-12-21-24(38)28(43-22(37)8-3-13-1-5-15(32)6-2-13)26(40)30(42-21)44-29-25(39)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,28,30-36,38,40H,12H2/b8-3+/t21-,24-,26-,28+,30+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)/C=C/c1ccc(cc1)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus contorta Ref.
PlantaePinaceaePinus sylvestris Ref.
zoom in