input word = C00003316

Metabolite InformationStructural formula
Name Ligulatin B
Formula C17H22O5
Mw 306.14672381
CAS RN 31299-06-6
C_ID C00003316 ,
InChIKey BDTUWJXMQGOJIJ-PVNSPQDMNA-N
InChICode InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1
SMILES [C@@H]12[C@]([C@H]3[C@@H](CC[C@@H]1C)C(=C)C(=O)O3)(C(=O)CC2)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium incanum Ref.
PlantaeAsteraceaeParthenium ligulatum Ref.
PlantaeAsteraceaeParthenium schottii Ref.
PlantaeAsteraceaeParthenium tomentosum Ref.
zoom in



OrganismParthenium ligulatum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51