input word = C00050238

Metabolite InformationStructural formula
Name Subergorgic acid methyl ester
(-)-Subergorgic acid methyl ester
Formula C16H22O3
Mw 262.15689457
CAS RN 443999-13-1
C_ID C00050238 ,
InChIKey SJNFRYWQDFKLRC-XDIXUMGXNA-N
InChICode InChI=1S/C16H22O3/c1-9-7-13(17)16-10(2)11(14(18)19-4)8-15(16,3)6-5-12(9)16/h8-10,12H,5-7H2,1-4H3/t9-,10+,12+,15?,16-/m0/s1
SMILES COC(=O)C1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC(=O)[C@@]32[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Subergorgia suberosa Ref.
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