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 C1[C@@H]([C@@H]([C@]2([C@H](C1)C[C@]13[C@]([C@H]2OC(=O)/C(=C\C)/C)([C@H](C(=O)O1)C)O3)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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OrganismPetasites japonicus
ReferenceTori,Phytochem.,47,(1998),401