input word = C00040706

Metabolite InformationStructural formula
Name Ximaolide E
Formula C41H62O8
Mw 682.44446896
CAS RN 945974-91-4
C_ID C00040706 ,
InChIKey SFVYFUUICYPZNM-LAKGQLMONA-N
InChICode InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h17,23-24,26,29-31,35-37,45,47H,6,10-16,18-22H2,1-5,7-9H3/b25-17-/t24-,26+,29-,30+,31-,35-,36+,37+,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]1C(=C(C2)C)[C@@H](C[C@@]([C@@H]2CCC(=C)[C@H](CC/C(=C\1)/C)O2)(O)C)O)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
ReferenceJia,J.Nat.Prod.,70,(2007),1158