input word = C00032483

Metabolite InformationStructural formula
Name Vernolide C
(+)-Vernolide C
Formula C21H27ClO9
Mw 458.13436017
CAS RN 919090-95-2
C_ID C00032483 ,
InChIKey KBNAVWJVMFKJOU-LPZTYZLRNA-N
InChICode InChI=1S/C21H27ClO9/c1-11-7-14(30-18(25)20(4,26)10-22)16-13(9-28-12(2)23)17(24)29-15(16)8-19(3)5-6-21(11,27)31-19/h8,11,14,26-27H,5-7,9-10H2,1-4H3/b15-8+/t11-,14+,19-,20-,21+/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)(CCl)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia cinerea Ref.
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