input word = C00020450

Metabolite InformationStructural formula
Name Rupin A
Formula C15H18O6
Mw 294.11033831
CAS RN 41653-84-3
C_ID C00020450 ,
InChIKey ULWGMHRYQJWYAA-KBBCBFIENA-N
InChICode InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia tripartita Ref.
zoom in