input word = C00012082

Metabolite InformationStructural formula
Name Euperfolin
Formula C20H28O6
Mw 364.18858863
CAS RN 62197-60-8
C_ID C00012082 ,
InChIKey OALKRCUXSIESFZ-COTKXPELNA-N
InChICode InChI=1S/C20H28O6/c1-6-11(3)18(22)24-13-9-10(2)7-8-14(21)20(5)17(26-20)16-15(13)12(4)19(23)25-16/h6-7,12-17,21H,8-9H2,1-5H3/b10-7+,11-6-/t12-,13+,14-,15+,16-,17-,20+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1C/C(C)=C/C[C@H](O)[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium perfoliatum Ref.
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OrganismEupatorium perfoliatum
ReferenceHerz,J. Org. Chem.,42,(1977),2264