input word = C00021817

Metabolite InformationStructural formula
Name Subergorgic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 97718-45-1
C_ID C00021817 ,
InChIKey LFKSRWRSZVCLFJ-JDQAVMNUNA-N
InChICode InChI=1S/C15H20O3/c1-8-6-12(16)15-9(2)10(13(17)18)7-14(15,3)5-4-11(8)15/h7-9,11H,4-6H2,1-3H3,(H,17,18)/t8-,9+,11+,14+,15+/m0/s1
SMILES C[C@@H]1C(C(=O)O)=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC(=O)[C@@]132
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
--Subergorgia suberosa Ref.
zoom in