input word = C00045192

Metabolite InformationStructural formula
Name 6-Ketoteuscordin
Formula C20H20O6
Mw 356.12598837
CAS RN 401479-30-9
C_ID C00045192 ,
InChIKey XDLLWFPVEHRTIN-XNODWXOPNA-N
InChICode InChI=1S/C20H20O6/c1-11-7-16(21)20-10-25-17(22)13(20)3-2-4-15(20)19(11)8-14(26-18(19)23)12-5-6-24-9-12/h3,5-6,9,11,14-15H,2,4,7-8,10H2,1H3/t11-,14-,15+,19+,20-/m0/s1
SMILES C1[C@@H]([C@]2([C@@H]3[C@@]4(C1=O)C(=CCC3)C(=O)OC4)C(=O)O[C@@H](C2)c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium montbretii ssp. libanoticum Ref.
zoom in