input word = C00036289

Metabolite InformationStructural formula
Name (-)-Simulanol
Formula C21H24O7
Mw 388.15220312
CAS RN 500574-38-9
C_ID C00036289 ,
InChIKey SGRRPSBKBJVKJE-WZTUFDKRNA-N
InChICode InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+/t15-,20-/m0/s1
SMILES c12c([C@@H]([C@@H](O1)c1cc(c(c(c1)OC)O)OC)CO)cc(cc2OC)/C=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum integrifoliolum Ref.
PlantaeRutaceaeZanthoxylum simulans Ref.
zoom in