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 CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(O)CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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