input word = C00042654

Metabolite InformationStructural formula
Name Kudinoside D
Formula C47H72O17
Mw 908.47695088
CAS RN 173792-61-5
C_ID C00042654 ,
InChIKey ROLIIKCIEQNTMT-UHFFFAOYNA-N
InChICode InChI=1S/C47H72O17/c1-21-28(50)30(52)32(54)37(59-21)63-35-34(62-38-33(55)31(53)29(51)24(19-48)60-38)23(49)20-58-39(35)61-27-12-13-42(4)25(41(27,2)3)11-14-44(6)26(42)10-9-22-36-46(8,57)45(7)16-18-47(36,40(56)64-45)17-15-43(22,44)5/h9-10,21,23-35,37-39,48-55,57H,11-20H2,1-8H3/t21-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,37-,38-,39-,42-,43+,44-,45-,46+,47+/m1/s1
SMILES [C@@]1(C2=C3[C@](CC[C@]42C(=O)O[C@@]1(CC4)C)([C@]1([C@H](C=C3)[C@]2([C@@H](CC1)C([C@@H](CC2)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O)(C)C)C)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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OrganismIlex kudingcha
ReferenceTang,J.Nat.Prod.,68,(2005),1169