input word = C00012280

Metabolite InformationStructural formula
Name Leucanthinin
Formula C23H28O10
Mw 464.16824712
CAS RN 60295-54-7
C_ID C00012280 ,
InChIKey NWNXTGVGWMVCRM-UHNCQBDSNA-N
InChICode InChI=1S/C23H28O10/c1-10-9-16-17(11(2)20(26)31-16)19(32-22(28)23(5)12(3)33-23)18(30-13(4)24)14(21(27)29-6)7-8-15(10)25/h7,9,12,15-19,25H,2,8H2,1,3-6H3/b10-9+,14-7+/t12-,15-,16+,17-,18-,19-,23-/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(/[C@@H](C/C=C(\[C@H]([C@@H]2OC(=O)[C@]1([C@H](O1)C)C)OC(=O)C)/C(=O)OC)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium americanum Ref.
PlantaeAsteraceaeMelampodium leucanthum Ref.
zoom in