input word = C00049152

Metabolite InformationStructural formula
Name Eremopetasitenin C1
(-)-Eremopetasitenin C1
Formula C21H36O6
Mw 384.25118888
CAS RN 202916-90-3
C_ID C00049152 ,
InChIKey BMPRGPGLZWJNOP-MEEGNGPANA-N
InChICode InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7-/t13-,14+,15-,17+,20-,21+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H](O)[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