input word = C00011843

Metabolite InformationStructural formula
Name (+)-Caleine E
Calein E
Formula C19H24O6
Mw 348.1572885
CAS RN 110300-73-7
C_ID C00011843 ,
InChIKey RWWQWKJSBZYQNT-IYVWHPRQNA-N
InChICode InChI=1S/C19H24O6/c1-10(2)17(21)25-14-9-19(5,23)15(20)7-6-11(3)8-13-16(14)12(4)18(22)24-13/h6-7,11,13-14,16,23H,1,4,8-9H2,2-3,5H3/b7-6-/t11-,13+,14+,16-,19-/m0/s1
SMILES C=C(C)C(=O)O[C@@H]1C[C@](C)(O)C(=O)/C=C[C@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea zacatechichi Ref.
zoom in