input word = C00042652

Metabolite InformationStructural formula
Name Kudinoside A
(-)-Kudinoside A
Formula C47H74O18
Mw 926.48751556
CAS RN 181362-75-4
C_ID C00042652 ,
InChIKey MOVNHXBNDSZSGK-JFOFDFBLNA-N
InChICode InChI=1S/C47H74O18/c1-20-28(51)30(53)32(55)37(60-20)64-35-34(63-38-33(56)31(54)29(52)23(18-48)61-38)22(50)19-59-39(35)62-26-10-11-42(4)24(41(26,2)3)9-12-43(5)25(42)17-21(49)27-36-46(8,58)45(7)14-16-47(36,40(57)65-45)15-13-44(27,43)6/h20-26,28-35,37-39,48-56,58H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,28-,29+,30+,31-,32+,33+,34-,35+,37-,38-,39-,42-,43+,44+,45-,46-,47+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)C6=C7[C@]8(CC[C@](C)(OC8=O)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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