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@@H]12[C@@H]3[C@@]4([C@@](C[C@@H]([C@H]1C(=C)C(=O)O2)O)(O)C)[C@@H]([C@H]1[C@@]3(O1)C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia tripartita Ref.
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