input word = C00021594

Metabolite InformationStructural formula
Name 11-Acetoxy-2-bromo-3-hydroxy-beta-chamigrene
Formula C17H25BrO3
Mw 356.09870756
CAS RN 126005-79-6
C_ID C00021594 ,
InChIKey RSUGPKKDHKKQLW-XSXUIYPNNA-N
InChICode InChI=1S/C17H25BrO3/c1-10-6-7-17(14(8-10)21-12(3)19)11(2)9-13(20)15(18)16(17,4)5/h6,13-15,20H,2,7-9H2,1,3-5H3/t13-,14+,15-,17+/m0/s1
SMILES C1([C@H]([C@H](CC(=C)[C@@]21[C@@H](CC(=CC2)C)OC(=O)C)O)Br)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia obtusa Ref.
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OrganismLaurencia obtusa
ReferenceMartin,Phytochem.,28,(1989),3365