input word = C00054138

Metabolite InformationStructural formula
Name Cisilandrin
Formula C25H22O9
Mw 466.1263823
CAS RN 1021297-36-8
C_ID C00054138
InChIKey CRPGUMMYQABYES-CYSDGLOUSA-N
InChICode InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25-/m0/s1
SMILES O=C1C[C@@H](C2=CC=C(O[C@@H](C3=CC(OC)=C(O)C=C3)[C@@H](CO)O4)C4=C2)OC5=C1C(O)=CC(O)=C5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
zoom in



OrganismSilybum marianum
ReferenceArnone, A. et al., Chem. Comm., 1979, 696-697 (isol, struct)