input word = C00033696

Metabolite InformationStructural formula
Name Caratuberside D
(+)-Caratuberside D
Formula C51H76O17
Mw 960.508251
CAS RN 1070418-71-1
C_ID C00033696 ,
InChIKey NUTMBPBACYSVHF-KQJSDTJANA-N
InChICode InChI=1S/C51H76O17/c1-25(61-29(5)52)33-17-19-51(57)41-34(22-38(50(33,51)7)66-47(56)30-14-12-11-13-15-30)49(6)18-16-32(20-31(49)21-35(41)53)65-39-23-36(58-8)44(27(3)62-39)67-40-24-37(59-9)45(28(4)63-40)68-48-43(55)46(60-10)42(54)26(2)64-48/h11-15,21,25-28,32-46,48,53-55,57H,16-20,22-24H2,1-10H3/t25-,26+,27+,28+,32-,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=C[C@@H]([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)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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