input word = C00006017

Metabolite InformationStructural formula
Name Isorhamnetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside
Formula C43H48O22
Mw 916.26372322
CAS RN 107742-09-6
C_ID C00006017 ,
InChIKey URDWHWREEGRHBS-QJAFNOFYNA-N
InChICode InChI=1S/C43H48O22/c1-16-29(48)32(51)35(54)41(59-16)58-15-26-39(64-27(47)11-6-18-4-8-20(44)9-5-18)34(53)37(56)43(63-26)65-40-31(50)28-23(46)13-21(61-42-36(55)33(52)30(49)17(2)60-42)14-25(28)62-38(40)19-7-10-22(45)24(12-19)57-3/h4-14,16-17,26,29-30,32-37,39,41-46,48-49,51-56H,15H2,1-3H3/b11-6+/t16-,17-,26+,29+,30+,32+,33+,34-,35-,36-,37-,39+,41-,42+,43+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
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