input word = C00042125

Metabolite InformationStructural formula
Name 3-epi-Heliangin
(-)-3-epi-Heliangin
Formula C20H26O6
Mw 362.17293856
CAS RN 857502-89-7
C_ID C00042125 ,
InChIKey DZTWAOVNNLDWNH-AAVJLSQKNA-N
InChICode InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7+/t13-,14+,15+,16-,17+,20-/m1/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)[C@H](O)C[C@H]3O[C@]3(C)CC(OC(=O)/C(C)=C/C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium kiirunense Ref.
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