input word = C00028130

Metabolite InformationStructural formula
Name Daechuine S8-1
Formula C34H53N5O6
Mw 627.39958446
CAS RN 123089-23-6
C_ID C00028130 ,
InChIKey SHBIMKKIABDMOU-BMRADRMJNA-N
InChICode InChI=1S/C34H53N5O6/c1-10-20(4)27-31(40)35-17-15-23-19-24(13-14-25(23)44-9)45-26-16-18-39(30(26)33(42)36-27)34(43)28(21(5)11-2)37-32(41)29(38(7)8)22(6)12-3/h13-15,17,19-22,26-30H,10-12,16,18H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)/b17-15-/t20-,21+,22+,26-,27-,28+,29-,30+/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]([C@H](CC)C)NC(=O)[C@@H]([C@H](CC)C)N(C)C)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
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