input word = C00011978

Metabolite InformationStructural formula
Name Castellanin
Formula C15H22O4
Mw 266.15180919
CAS RN 93372-86-2
C_ID C00011978 ,
InChIKey LASQZSRKRLHSPX-UZPWNFFTNA-N
InChICode InChI=1S/C15H22O4/c1-5-14(3)7-6-10-12(11(14)9(2)8-16)19-13(17)15(10,4)18/h5,10-12,16,18H,1-2,6-8H2,3-4H3/t10-,11-,12-,14-,15-/m1/s1
SMILES C1[C@@H]2[C@H]([C@H]([C@@](C1)(C=C)C)C(=C)CO)OC(=O)[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea spp. Ref.
zoom in