input word = C00041271

Metabolite InformationStructural formula
Name 3-epi-29-Acetoxystelliferin E
Formula C36H52O7
Mw 596.37130401
CAS RN 881922-50-5
C_ID C00041271 ,
InChIKey BKYTUKQTWNSKPW-UINMRGNMNA-N
InChICode InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3/b13-11+,23-12+,33-24+/t29-,30+,31-,32+,34-,35-,36+/m0/s1
SMILES C1[C@]2([C@H]([C@]([C@@H](C1)OC(=O)C)(COC(=O)C)C)CC[C@]1([C@H]2CC(=O)/C/1=C(/C=C/C=C(/[C@H](CC=C(C)C)OC(=O)C)\C)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rhabdastrella globostellata Ref.
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OrganismRhabdastrella globostellata
ReferenceClement,J.Nat.Prod.,69,(2006),373