input word = C00006279

Metabolite InformationStructural formula
Name Cytisoside 7-O-glucoside
Formula C28H32O15
Mw 608.17412036
CAS RN 18456-23-0
C_ID C00006279 ,
InChIKey UZDCKPYGVMHOPB-TUWQGTSDNA-N
InChICode InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-13(32)7-15(42-28-25(38)23(36)21(34)17(9-30)43-28)19(26(18)40-14)27-24(37)22(35)20(33)16(8-29)41-27/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3/t16-,17+,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUlmaceaeTrema aspera Ref.
PlantaeUlmaceaeTrema cannabina Ref.
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