input word = C00032482

Metabolite InformationStructural formula
Name Vernolide B
Formula C23H30O8
Mw 434.19406794
CAS RN 618860-58-5
C_ID C00032482 ,
InChIKey CIBBPLMBWXKCDP-OVRGGOMQNA-N
InChICode InChI=1S/C23H30O8/c1-7-13(2)20(25)29-17-10-14(3)23(27-6)9-8-22(5,31-23)11-18-19(17)16(21(26)30-18)12-28-15(4)24/h7,11,14,17H,8-10,12H2,1-6H3/b13-7+,18-11+/t14-,17+,22-,23+/m1/s1
SMILES C1[C@]2([C@@H](C[C@@H](C3=C(C(=O)O/C/3=C/[C@](C1)(C)O2)COC(=O)C)OC(=O)/C(=C/C)/C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia cinerea Ref.
zoom in