input word = C00049153

Metabolite InformationStructural formula
Name Eremopetasitenin C2
(-)-Eremopetasitenin C2
Formula C25H34O7S
Mw 478.20252417
CAS RN 202916-91-4
C_ID C00049153 ,
InChIKey WAJCGTCCWFRXDF-LHHHKMIZNA-N
InChICode InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11-,14-8-/t16-,17+,18-,21+,24-,25+/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](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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