input word = C00003388

Metabolite InformationStructural formula
Name Vernolide
Formula C19H22O7
Mw 362.13655306
CAS RN 27428-86-0
C_ID C00003388 ,
InChIKey ZGXVZQZFVYSUDU-LFRGPINUNA-N
InChICode InChI=1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6-/t12-,13-,14+,15-,18+,19?/m0/s1
SMILES [C@@H]12CC/C/3=C/[C@H]4[C@H](C(=C)C(=O)O4)[C@H](C[C@@]1([C@@H](OC3)O)O2)OC(=O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia amygdalina Ref.
PlantaeAsteraceaeVernonia colorata Ref.
zoom in