input word = C00029342

Metabolite InformationStructural formula
Name (R)-(+)-Ligulaodonin A
Ligulaodonin A
Formula C22H22O7
Mw 398.13655306
CAS RN 943725-95-9
C_ID C00029342 ,
InChIKey FVLFRCNARAMFCI-ANBDAQEENA-N
InChICode InChI=1S/C22H22O7/c1-22(21-7-12-6-17(24-2)19(26-4)9-15(12)28-21)11-14(23)13-8-18(25-3)20(27-5)10-16(13)29-22/h6-10H,11H2,1-5H3/t22-/m1/s1
SMILES COc1cc2c(cc1OC)C(=O)C[C@](C)(c1cc3cc(OC)c(OC)cc3o1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia odontomanes Ref.
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OrganismLigularia odontomanes
ReferenceFei,Chem.Pharm.Bull.,55,(2007),577