input word = C00051104

Metabolite InformationStructural formula
Name Kadsulignan C
Formula C31H30O11
Mw 578.1788118
CAS RN 137637-49-1
C_ID C00051104
InChIKey OBZPUOIODMKKHB-UHFFFAOYNA-N
InChICode InChI=1S/C31H30O11/c1-15-23(42-29(34)17-9-7-6-8-10-17)18-11-21-24(40-14-39-21)26-22(18)31(13-38-26)19(28(30(15,3)35)41-16(2)32)12-20(36-4)25(37-5)27(31)33/h6-12,15,23,28,35H,13-14H2,1-5H3
SMILES COC1=C(OC)C(=O)C23COc4c5c(cc(c42)C(OC(=O)c2ccccc2)C(C)C(C)(O)C(OC(C)=O)C3=C1)OCO5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
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OrganismKadsura coccinea
ReferenceLi, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 28, (2003), 1120