input word = C00020500

Metabolite InformationStructural formula
Name Eupachifolin C
Formula C22H26O7
Mw 402.16785319
CAS RN 72947-96-7
C_ID C00020500 ,
InChIKey RGSSIOXOYJIMTR-DROMKICFNA-N
InChICode InChI=1S/C22H26O7/c1-10(6-7-23)21(25)28-16-8-11(2)17-15(27-14(5)24)9-12(3)18(17)20-19(16)13(4)22(26)29-20/h6,9,15-20,23H,2,4,7-8H2,1,3,5H3/b10-6+/t15-,16+,17+,18-,19+,20+/m0/s1
SMILES C1=C([C@H]2[C@@H]([C@H]1OC(=O)C)C(=C)C[C@H]([C@@H]1[C@@H]2OC(=O)C1=C)OC(=O)/C(=C/CO)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium chinense Ref.
PlantaeAsteraceaeEupatorium glehnii Ref.
zoom in