input word = C00050233

Metabolite InformationStructural formula
Name Sinuflexibilin
(-)-Sinuflexibilin
Formula C21H36O6
Mw 384.25118888
CAS RN 210706-47-1
C_ID C00050233 ,
InChIKey XVIUENHSSMFKJB-SQUNUGDCNA-N
InChICode InChI=1S/C21H36O6/c1-14-7-6-11-20(3,25)18(23)13-16(15(2)19(24)27-5)10-12-21(4,26)17(22)9-8-14/h7,16-18,22-23,25-26H,2,6,8-13H2,1,3-5H3/b14-7+/t16-,17+,18-,20+,21-/m0/s1
SMILES C1[C@H]([C@@](CC[C@@H](C[C@@H]([C@](CC/C=C(/C1)\C)(C)O)O)C(=C)C(=O)OC)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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OrganismSinularia flexibilis
ReferenceDuh,J.Nat.Prod.,61,(1998),844