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 C1C[C@]2([C@@]3([C@H]1[C@H](CC3=O)C)[C@@H](C(=C2)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
--Subergorgia suberosa Ref.
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