input word = C00044820

Metabolite InformationStructural formula
Name Iodovulone I
Formula C21H29IO4
Mw 472.11105241
CAS RN 105343-03-1
C_ID C00044820 ,
InChIKey WBVIHDHLOOPYQN-JXICVUNUNA-N
InChICode InChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9+,17-13?/t21-/m1/s1
SMILES CCCCC/C=C/C[C@]1(C=C(C(=O)/C/1=C\C=C/CCCC(=O)OC)I)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Clavularia viridis Ref.
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OrganismClavularia viridis
ReferenceWatanabe,J.Nat.Prod.,66,(2003),1434