input word = C00049151

Metabolite InformationStructural formula
Name Eremopetasitenin A1
(-)-Eremopetasitenin A1
Formula C20H28O6
Mw 364.18858863
CAS RN 71047-01-3
C_ID C00049151 ,
InChIKey FYNKIYMILKEXOG-GQOZLROJNA-N
InChICode InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6-/t11-,12-,13+,14-,17-,18-,19-,20+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@@]23OC(=O)[C@H](C)[C@@]12O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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