input word = C00042256

Metabolite InformationStructural formula
Name Australin A
(-)-Australin A
Formula C22H36O6
Mw 396.25118888
CAS RN 863638-09-9
C_ID C00042256 ,
InChIKey CKMZLJUYJFHCKF-LAQSCKQLNA-N
InChICode InChI=1S/C22H36O6/c1-12(2)14-7-10-22(6,28-13(3)23)18-15(24)11-21(5,26)16-8-9-20(4,25)19(27-16)17(14)18/h12,14,16-19,25-26H,7-11H2,1-6H3/t14-,16+,17-,18-,19+,20-,21-,22-/m1/s1
SMILES [C@H]12CC[C@@]([C@H]([C@H]3[C@@H](C(=O)C[C@@]1(C)O)[C@](CC[C@@H]3C(C)C)(C)OC(=O)C)O2)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cladiella australis Ref.
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OrganismCladiella australis
ReferenceAhmed,J.Nat.Prod.,68,(2005),1051