input word = C00028127

Metabolite InformationStructural formula
Name Daechuine S10
Formula C31H40N4O6
Mw 564.29478504
CAS RN 123089-24-7
C_ID C00028127 ,
InChIKey FXMRGUYPWSOTBD-FYWRMAATNA-N
InChICode InChI=1S/C31H40N4O6/c1-6-19(2)27-29(37)32-15-13-21-18-23(11-12-25(21)40-5)41-26-14-16-35(28(26)30(38)33-27)31(39)24(34(3)4)17-20-7-9-22(36)10-8-20/h7-13,15,18-19,24,26-28,36H,6,14,16-17H2,1-5H3,(H,32,37)(H,33,38)/b15-13+/t19-,24+,26-,27+,28+/m1/s1
SMILES [C@H]1(NC(=O)[C@@H]2[C@H](Oc3cc(/C=C/NC1=O)c(cc3)OC)CCN2C(=O)[C@@H](N(C)C)Cc1ccc(cc1)O)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
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OrganismZizyphus jujuba var.inermis
ReferenceHan,Pure Appl.Chem.,61,(1989),443