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 CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2C3OC(CC[C@@]3(C)O)[C@](C)(O)CC(=O)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cladiella australis Ref.
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