input word = C00014562

Metabolite InformationStructural formula
Name Dorstenone
Formula C40H38O8
Mw 646.25666819
CAS RN 249284-63-7
C_ID C00014562 ,
InChIKey SUQUIVSLHDOSQP-GGCMNZJWNA-N
InChICode InChI=1S/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+/t31-,32-,36-/m0/s1
SMILES CC(C)=CCc1c(O)ccc(C(=O)C2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeDorstenia barteri Ref.
zoom in