input word = C00052978

Metabolite InformationStructural formula
Name Cipaferen E
Formula C32H44O9
Mw 572.298533
CAS RN 1542240-14-1
C_ID C00052978
InChIKey QSOKOKIGNIBRDO-JLJOKJLMSA-N
InChICode InChI=1S/C32H44O9/c1-9-17(2)28(36)40-26-24(35)27-31(7,21(29(26,4)5)14-22(33)37-8)20-10-12-30(6)25(19-11-13-38-16-19)39-23(34)15-32(30,41-27)18(20)3/h11,13,16-17,20-21,24-27,35H,3,9-10,12,14-15H2,1-2,4-8H3/t17?,20-,21-,24-,25-,26-,27-,30-,31+,32-/m0/s1
SMILES C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1[C@@H](O)[C@H](OC(=O)C(C)CC)C(C)(C)[C@H](CC(=O)OC)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera Ref.
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