input word = C00051106

Metabolite InformationStructural formula
Name Kadsulignan E
Formula C31H30O11
Mw 578.1788118
CAS RN 142674-80-4
C_ID C00051106
InChIKey QBXDGQPGIRDVGF-UHFFFAOYNA-N
InChICode InChI=1S/C31H30O11/c1-15-23(42-29(34)17-9-7-6-8-10-17)18-11-21-25(40-14-39-21)26-22(18)31(13-38-26)19(27(30(15,3)35)41-16(2)32)12-20(33)24(36-4)28(31)37-5/h6-12,15,23,27,35H,13-14H2,1-5H3
SMILES COC1=C(OC)C23COc4c5c(cc(c42)C(OC(=O)c2ccccc2)C(C)C(C)(O)C(OC(C)=O)C3=CC1=O)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