input word = C00049796

Metabolite InformationStructural formula
Name Isonitenin
(-)-Isonitenin
Formula C21H24O4
Mw 340.16745925
CAS RN 180604-45-9
C_ID C00049796 ,
InChIKey YHLJEGITRQRPJZ-WJHIKLFCNA-N
InChICode InChI=1S/C21H24O4/c1-16(4-2-5-17-8-10-23-14-17)12-20-13-19(21(22)25-20)7-3-6-18-9-11-24-15-18/h7-12,14-15,20H,2-6,13H2,1H3/b16-12+,19-7+/t20-/m0/s1
SMILES [C@@H]1(C/C(=C\CCc2cocc2)/C(=O)O1)/C=C(/CCCc1cocc1)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia agaricina Ref.
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