input word = C00012287

Metabolite InformationStructural formula
Name Melcanthin A
Formula C23H28O9
Mw 448.17333249
CAS RN 68024-34-0
C_ID C00012287 ,
InChIKey XSZRIJMSPWSOAV-WJFDSZTDNA-N
InChICode InChI=1S/C23H28O9/c1-6-12(2)21(26)32-20-18-13(3)22(27)31-17(18)10-15(11-24)8-7-9-16(23(28)29-5)19(20)30-14(4)25/h6,9-10,17-20,24H,3,7-8,11H2,1-2,4-5H3/b12-6+,15-10-,16-9-/t17-,18-,19-,20+/m1/s1
SMILES C=C1C(=O)OC2/C=C(CO)CC/C=C(/C(=O)OC)C(OC(C)=O)C(OC(=O)/C(C)=C/C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium rosei Ref.
zoom in