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