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 CCC(C)C1NC(=O)C2C(CCN2C(=O)C(Cc2ccc(O)cc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
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