input word = C00000161

Metabolite InformationStructural formula
Name Euserotin
Formula C21H26O6
Mw 374.17293856
CAS RN 70527-89-8
C_ID C00000161 ,
InChIKey ILNNCSSDKBHGFO-YEQWITOQNA-N
InChICode InChI=1S/C21H26O6/c1-5-12(2)10-18(22)26-16-9-13(3)7-6-8-15(20(23)24)11-17-19(16)14(4)21(25)27-17/h7,10-11,16-17,19H,4-6,8-9H2,1-3H3,(H,23,24)/b12-10+,13-7+,15-11-/t16-,17-,19-/m1/s1
SMILES C1C/C(=C/[C@@H]2[C@@H]([C@@H](C/C(=C/1)/C)OC(=O)/C=C(/CC)\C)C(=C)C(=O)O2)/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium serotinum Ref.
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OrganismEupatorium serotinum
ReferenceHerz,J. Org. Chem.,44,(1979),2784