input word = C00042656

Metabolite InformationStructural formula
Name Kudinoside F
Formula C47H74O18
Mw 926.48751556
CAS RN 173792-63-7
C_ID C00042656 ,
InChIKey XTZWSOFVACVIPY-UHFFFAOYNA-N
InChICode InChI=1S/C47H74O18/c1-20-27(51)29(53)31(55)37(60-20)64-34-33(63-38-32(56)30(54)28(52)24(18-48)61-38)23(50)19-59-39(34)62-26-10-11-42(4)25(41(26,2)3)9-12-44(6)36(42)22(49)17-21-35-46(8,58)45(7)14-16-47(35,40(57)65-45)15-13-43(21,44)5/h20,22-34,36-39,48-56,58H,9-19H2,1-8H3/t20-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,36+,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@H](C3)O)[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