input word = C00043716

Metabolite InformationStructural formula
Name Methyl sartortuoate
Formula C41H62O8
Mw 682.44446896
CAS RN 102141-25-3
C_ID C00043716 ,
InChIKey BAOIEULYBHGOJI-UMWRIWGCNA-N
InChICode InChI=1S/C41H62O8/c1-24(2)30-22-33(42)27(5)12-10-11-25(3)20-34(43)32-21-28(6)29-15-17-39(7,46)37-16-18-40(8,47)36(49-37)14-13-26(4)19-31(29)41(32,23-35(30)44)38(45)48-9/h15,19,21,24-25,27,30-32,36-37,46-47H,10-14,16-18,20,22-23H2,1-9H3/b26-19-,29-15+/t25-,27+,30+,31+,32+,36+,37+,39-,40+,41-/m1/s1
SMILES [C@@H]1(CCC[C@H](CC(=O)[C@H]2[C@@](CC(=O)[C@@H](CC1=O)C(C)C)([C@@H]1/C(=C/C[C@]([C@@H]3CC[C@@]([C@H](CC/C(=C\1)/C)O3)(O)C)(O)C)/C(=C2)C)C(=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton tortuosum Ref.
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OrganismSarcophyton tortuosum
ReferenceZeng,J.Nat.Prod.,67,(2004),1915