input word = C00005440

Metabolite InformationStructural formula
Name Quercetin 3-O-alpha-L-rhamnopyranoside
Formula C33H40O20
Mw 756.21129372
CAS RN 83170-32-5,136667-80-6
C_ID C00005440 ,
InChIKey MNIDWWPXTZZMMY-GFGPQXEGNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3/t9-,10+,17+,19+,20+,21+,23+,24+,25+,26-,27-,29+,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)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)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
PlantaeCanellaceaeWarburgia stuhlmannii Ref.
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
PlantaeCupressaceaeCupressus sempervirens Ref.
PlantaeFabaceaeTachigalia paniculata Ref.
PlantaeMelastomataceaeMiconia cabucu Ref.
PlantaeMyrtaceaeEucalyptus maideni Ref.
PlantaeNymphaeaceaeNymphaea odorata Ref.
PlantaeRhamnaceaeRhamnus petiolaris Ref.
PlantaeSolanaceaeCapsicum annum L. Ref.
zoom in