input word = C00002010

Metabolite InformationStructural formula
Name Zizyphine A
Formula C33H49N5O6
Mw 611.36828433
CAS RN 51059-42-8
C_ID C00002010 ,
InChIKey NXCUAFMNFVTKHA-MWKVWEGQNA-N
InChICode InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25+,27-,28-,29-/m0/s1
SMILES c12ccc(c(c1)OC)/C=C\NC(=O)[C@H]1N(C(=O)[C@@H]3[C@H](O2)CCN3C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)N(C)C)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus oenoplia Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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