input word = C00023206

Metabolite InformationStructural formula
Name Isonidorellalactone
Formula C20H30O3
Mw 318.21949482
CAS RN 70387-33-6
C_ID C00023206 ,
InChIKey IUGNRHGQKFZMIS-DKNXAWGENA-N
InChICode InChI=1S/C20H30O3/c1-14-7-10-20(13-21)15(2)5-4-6-17(20)19(14,3)9-8-16-11-18(22)23-12-16/h5,11,14,17,21H,4,6-10,12-13H2,1-3H3/t14-,17+,19-,20+/m1/s1
SMILES CC1=CCC[C@@H]2[C@]1(CO)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNidorella agria Ref.
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