input word = C00005459

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 128988-57-8
C_ID C00005459 ,
InChIKey CGTJNKQXMHSGFN-BQIYNSKGNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)54-30-25(45)21(41)17(8-35)52-33(30)53-29-22(42)18-14(38)5-11(49-32-27(47)24(44)20(40)16(7-34)51-32)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17+,19-,20+,21-,23+,24-,25+,26-,27-,30+,31-,32+,33-/m0/s1
SMILES CC1O[C@@H](OC2C(O)[C@@H](O)C(CO)O[C@H]2Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeBlackstonia perfoliata Ref.
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