input word = C00005455

Metabolite InformationStructural formula
Name Quercetin 3-(2G-rhamnosylgentiobioside)
Formula C33H40O21
Mw 772.20620834
CAS RN 55780-29-5
C_ID C00005455 ,
InChIKey NRTALHZHXXNSOY-DPLZDKMLNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)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+/m1/s1
SMILES CC1O[C@@H](OC2C(O)[C@H](O)C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)O[C@H]2Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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