input word = C00033695

Metabolite InformationStructural formula
Name Caratuberside C
(+)-Caratuberside C
Formula C51H76O16
Mw 944.51333638
CAS RN 1070418-56-2
C_ID C00033695 ,
InChIKey AVAZXIOSUORKOF-LFTDUZDBNA-N
InChICode InChI=1S/C51H76O16/c1-26(60-30(5)52)34-19-21-51(56)35-17-16-32-22-33(18-20-49(32,6)36(35)23-39(50(34,51)7)65-47(55)31-14-12-11-13-15-31)64-40-24-37(57-8)44(28(3)61-40)66-41-25-38(58-9)45(29(4)62-41)67-48-43(54)46(59-10)42(53)27(2)63-48/h11-16,26-29,33-46,48,53-54,56H,17-25H2,1-10H3/t26-,27+,28+,29+,33-,34+,35+,36-,37-,38-,39+,40-,41-,42+,43+,44+,45+,46+,48-,49-,50-,51-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1[C@H](C)OC(=O)C)O)C)OC(=O)c1ccccc1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)OC)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma tuberculata Ref.
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OrganismCaralluma tuberculata
ReferenceAbdel-Sattar,Phytochem.,69,(2008),2180