input word = C00003279

Metabolite InformationStructural formula
Name Eupatoroxin
Formula C20H24O8
Mw 392.14711774
CAS RN 20071-51-6
C_ID C00003279 ,
InChIKey QUSNLLJZMPVTTC-NJUVHAFSNA-N
InChICode InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@H]3O[C@@]3(C)[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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OrganismEupatorium rotundifolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51