input word = C00011873

Metabolite InformationStructural formula
Name Sphaerocephalin
Formula C21H26O7
Mw 390.16785319
CAS RN 75680-34-1
C_ID C00011873 ,
InChIKey DUKBXGVSZGNHKP-ASMFLFHFNA-N
InChICode InChI=1S/C21H26O7/c1-11(2)19(23)27-16-9-21(10-25-14(5)22)17(28-21)7-6-12(3)8-15-18(16)13(4)20(24)26-15/h8,15-18H,1,4,6-7,9-10H2,2-3,5H3/b12-8+/t15-,16-,17-,18+,21-/m1/s1
SMILES C=C(C)C(=O)O[C@@H]1CC2(COC(C)=O)O[C@@H]2CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera sphaerocephala Ref.
zoom in