input word = C00047594

Metabolite InformationStructural formula
Name Tiegusanin J
Formula C33H40O10
Mw 596.2621475
CAS RN 1156503-61-5
C_ID C00047594 ,
InChIKey HFXDDWNNHDACFM-LZTIWXADNA-N
InChICode InChI=1S/C33H40O10/c1-11-16(3)32(34)42-26-18(5)19(6)27(43-33(35)17(4)12-2)21-14-23-29(41-15-40-23)31(39-10)25(21)24-20(26)13-22(36-7)28(37-8)30(24)38-9/h11-14,18-19,26-27H,15H2,1-10H3/b16-11+,17-12-/t18-,19+,26-,27-/m0/s1
SMILES C/C=C(/C)C(=O)OC1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C(OC(=O)/C(C)=C/C)C(C)C1C)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua var.sinensis Ref.
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