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 C1[C@@H]([C@@H]([C@]2([C@H](C1)C[C@@]1(C(=C(C(=O)O1)C)[C@H]2OC(=O)/C(=C\C)/C)OC)C)C)OC(=O)/C=C\SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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