input word = C00023205

Metabolite InformationStructural formula
Name 18-O-Malonyl-kingidiol-19-O-acetate
Formula C25H34O7
Mw 446.23045344
CAS RN 84122-40-7
C_ID C00023205 ,
InChIKey XBVDFACAELETOW-NXNUPOGYNA-N
InChICode InChI=1S/C25H34O7/c1-17-7-11-25(16-32-18(2)26)20(15-31-23(29)13-22(27)28)5-4-6-21(25)24(17,3)10-8-19-9-12-30-14-19/h5,9,12,14,17,21H,4,6-8,10-11,13,15-16H2,1-3H3,(H,27,28)/t17-,21-,24+,25-/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CCc1cocc1)C)COC(=O)C)COC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis rhetinodes Ref.
zoom in



OrganismBaccharis rhetinodes
ReferenceZdero,Phytochem.,25,(1986),2841