input word = C00020880

Metabolite InformationStructural formula
Name 5-Hydroxyeupasessifolide B
Formula C20H22O7
Mw 374.13655306
CAS RN 76164-15-3
C_ID C00020880 ,
InChIKey HYMYBLVWMOWQIJ-MSWFSHMVNA-N
InChICode InChI=1S/C20H22O7/c1-5-9(2)18(23)26-14-7-12(8-21)16-13(22)6-10(3)20(16,25)17-15(14)11(4)19(24)27-17/h5-6,14-15,17,21,25H,4,7-8H2,1-3H3/b9-5+/t14-,15-,17+,20-/m1/s1
SMILES C12=C(C[C@H]([C@@H]3[C@@H]([C@]1(C(=CC2=O)C)O)OC(=O)C3=C)OC(=O)/C(=C/C)/C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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OrganismEupatorium rotundifolium
ReferenceBohlmann,Phytochem.,19,(1980),1233