input word = C00005441

Metabolite InformationStructural formula
Name Quercetin 3-isorhamninoside
Formula C33H40O20
Mw 756.21129372
CAS RN 128308-95-2
C_ID C00005441 ,
InChIKey PWFJILMZPHBSAY-FQFXTJFDNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10+,17+,19+,20+,22+,23-,24-,25-,26+,27-,28+,31-,32+,33+/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[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDidiereaceaeAlluaudia spp. Ref.
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