input word = C00012554

Metabolite InformationStructural formula
Name [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde
Aplysinal
Formula C15H17BrO2
Mw 308.04119269
CAS RN 64052-99-9
C_ID C00012554 ,
InChIKey VRWMUPPZOHFLPX-ANPSPLOONA-N
InChICode InChI=1S/C15H17BrO2/c1-9-6-13-11(7-12(9)16)14(3)5-4-10(2)15(14,8-17)18-13/h6-8,10H,4-5H2,1-3H3/t10-,14-,15-/m0/s1
SMILES c1c(c(cc2c1[C@]1([C@@](O2)([C@H](CC1)C)C=O)C)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Marginosporum aberrans Ref.
zoom in