input word = C00023490

Metabolite InformationStructural formula
Name Isolinaritriol 12,16-diacetate
Formula C24H38O5
Mw 406.27192432
CAS RN 96888-25-4
C_ID C00023490 ,
InChIKey XKSHVSAIYAQZDQ-HMBMLORWNA-N
InChICode InChI=1S/C24H38O5/c1-16-8-7-9-22-23(16,5)12-10-17(2)24(22,6)14-21(29-19(4)27)20(11-13-25)15-28-18(3)26/h11,17,21-22,25H,1,7-10,12-15H2,2-6H3/b20-11+/t17-,21-,22+,23+,24+/m1/s1
SMILES C1CC(=C)[C@]2([C@H](C1)[C@]([C@@H](CC2)C)(C[C@H](/C(=C/CO)/COC(=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria saxatilis Ref.
zoom in