input word = C00049154

Metabolite InformationStructural formula
Name Eremopetasitenin C3
(-)-Eremopetasitenin C3
Formula C21H30O6S
Mw 410.17630942
CAS RN 202916-92-5
C_ID C00049154 ,
InChIKey AKVFHSQBKRFJIZ-KCXGVINKNA-N
InChICode InChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9-/t13-,14+,15-,18+,20-,21+/m0/s1
SMILES CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H](OC(=O)/C=CSC)[C@H](C)[C@]21C
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