input word = C00038207

Metabolite InformationStructural formula
Name 20-Acetylsinularolide C
Formula C22H30O6
Mw 390.20423869
CAS RN 78037-40-8
C_ID C00038207 ,
InChIKey KORREFUCEHZSEK-FVUQCNLBNA-N
InChICode InChI=1S/C22H30O6/c1-13-7-5-9-14(2)19(24)20-17(15(3)21(25)27-20)11-18-22(28-18,10-6-8-13)12-26-16(4)23/h8-9,17-20,24H,3,5-7,10-12H2,1-2,4H3/b13-8-,14-9+/t17-,18-,19+,20-,22+/m1/s1
SMILES C\1=C(\CC/C=C(/[C@@H]([C@H]2[C@H](C[C@@H]3[C@@](CC1)(O3)COC(=O)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