input word = C00039518

Metabolite InformationStructural formula
Name Kadangustin I
(-)-Kadangustin I
Formula C21H26O6
Mw 374.17293856
CAS RN 1013633-27-6
C_ID C00039518 ,
InChIKey ZNOVVYJXQWKCSW-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O6/c1-12(7-14-5-6-17-18(8-14)27-11-26-17)13(2)20(23)15-9-16(22)21(25-4)19(10-15)24-3/h5-6,8-10,12-13,20,22-23H,7,11H2,1-4H3/t12-,13+,20-/m0/s1
SMILES c1(C[C@@H]([C@H]([C@@H](c2cc(c(c(c2)OC)OC)O)O)C)C)cc2c(cc1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura angustifolia Ref.
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