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=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(C)C(OC(=O)[C@]3(C)O[C@@H]3C)C(O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
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