input word = C00013853

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside
3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 245036-42-4
C_ID C00013853 ,
InChIKey NBUFNRXXPHGPRF-CUKMZMMANA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)25(45)30(54-32-27(47)24(44)21(41)17(8-35)52-32)33(48-9)53-29-22(42)18-14(38)5-11(49-31-26(46)23(43)20(40)16(7-34)51-31)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(-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@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus chrysanthus Ref.
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