input word = C00040321

Metabolite InformationStructural formula
Name Sinularolide E
(-)-Sinularolide E
Formula C20H28O4
Mw 332.19875938
CAS RN 852469-28-4
C_ID C00040321 ,
InChIKey HVJGVUTXXJGUKC-WSZWHAOINA-N
InChICode InChI=1S/C20H28O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8-9,15-18,21H,3,5-7,10-11H2,1-2,4H3/b12-8-,13-9+/t15-,16-,17-,18-,20-/m1/s1
SMILES C\1=C(\CC/C=C(/[C@H]([C@H]2[C@H](C[C@@H]3[C@@](CC1)(O3)C)C(=C)C(=O)O2)O)\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum crassum Ref.
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OrganismLobophytum crassum
ReferenceZhang,J.Nat.Prod.,71,(2008),961