input word = C00033698

Metabolite InformationStructural formula
Name Caratuberside F
(+)-Caratuberside F
Formula C57H86O22
Mw 1122.56107443
CAS RN 1070430-16-8
C_ID C00033698 ,
InChIKey OQKFTDJVCAXIBH-VTKBIGIXNA-N
InChICode InChI=1S/C57H86O22/c1-27(70-31(5)59)34-18-21-57(66)35-17-20-56(65)25-33(16-19-54(56,6)36(35)22-40(55(34,57)7)76-51(64)32-14-12-11-13-15-32)74-41-23-37(67-8)47(28(2)71-41)77-42-24-38(68-9)48(29(3)72-42)78-53-46(63)50(69-10)49(30(4)73-53)79-52-45(62)44(61)43(60)39(26-58)75-52/h11-15,17,20,27-30,33-50,52-53,58,60-63,65-66H,16,18-19,21-26H2,1-10H3/t27-,28+,29+,30+,33-,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50+,52-,53-,54+,55-,56?,57-/m0/s1
SMILES C1[C@@H](C[C@]2([C@](C1)([C@@H]1[C@H](C=C2)[C@@]2([C@]([C@@H](C1)OC(=O)c1ccccc1)([C@H](CC2)[C@H](C)OC(=O)C)C)O)C)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@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)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