input word = C00039419

Metabolite InformationStructural formula
Name Irieol C
Formula C20H34Br2O2
Mw 464.09255613
CAS RN 67506-19-8
C_ID C00039419 ,
InChIKey WORGNGGMSOIQIY-RLXZRFSWNA-N
InChICode InChI=1S/C20H34Br2O2/c1-17(2)12-20(24,10-7-14(17)21)11-13-5-8-18(3)15(22)6-9-19(4,23)16(13)18/h13-16,23-24H,5-12H2,1-4H3/t13-,14-,15-,16-,18+,19+,20-/m0/s1
SMILES C1C[C@@]([C@@H]2[C@@]([C@H]1Br)(CC[C@H]2C[C@@]1(CC([C@H](CC1)Br)(C)C)O)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia irieii Ref.
--Laurencia mariannensis Ref.
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OrganismLaurencia irieii
ReferenceHoward,Tetrahedron Lett.,(1982),3847