input word = C00020895

Metabolite InformationStructural formula
Name Calocephalin acetate
Formula C17H22O5
Mw 306.14672381
CAS RN 4955-25-3
C_ID C00020895 ,
InChIKey NHFIMEDITZLSNZ-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-12-11(9(2)15(19)20-12)6-13-16(4)14(22-16)7-17(8,13)21-10(3)18/h8,11-14H,2,5-7H2,1,3-4H3/t8-,11+,12-,13+,14+,16-,17+/m0/s1
SMILES [C@]12([C@H](C[C@H]3[C@H](C[C@@H]1C)OC(=O)C3=C)[C@]1([C@@H](C2)O1)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalocephalus brownii Ref.
zoom in