input word = C00003276

Metabolite InformationStructural formula
Name Eupatocunoxin
Formula C22H28O8
Mw 420.17841787
CAS RN 39204-36-9
C_ID C00003276 ,
InChIKey UZTYOOVAPGOQDZ-NWDVCTEQNA-N
InChICode InChI=1S/C22H28O8/c1-10-7-8-15(27-14(5)23)11(2)9-16-17(12(3)20(25)28-16)18(24)19(10)29-21(26)22(6)13(4)30-22/h7,9,13,15-19,24H,3,8H2,1-2,4-6H3/b10-7+,11-9-/t13-,15+,16+,17-,18+,19-,22-/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(\[C@H](C/C=C(/[C@H]([C@H]2O)OC(=O)[C@]1([C@H](O1)C)C)\C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
zoom in



OrganismEupatorium cuneifolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51