input word = C00012162

Metabolite InformationStructural formula
Name Isochapliatrin
Formula C24H32O10
Mw 480.19954724
CAS RN 57800-57-4
C_ID C00012162 ,
InChIKey MDXYKPBJMAUNHU-UHFFFAOYNA-N
InChICode InChI=1S/C24H32O10/c1-6-15(11-30-13(3)26)23(29)32-18-9-24(5)8-7-17(31-14(4)27)16(10-25)20(34-24)21-19(18)12(2)22(28)33-21/h6,16-21,25H,2,7-11H2,1,3-5H3/b15-6+/t16-,17+,18-,19+,20-,21+,24-/m1/s1
SMILES C=C1C(=O)OC2C3OC(C)(CCC(OC(C)=O)C3CO)CC(OC(=O)C(=CC)COC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris chapmanii Ref.
zoom in