input word = C00028670

Metabolite InformationStructural formula
Name Neojerminalanine
(-)-Neojerminalanine
Neojerminalanine
Formula C39H61NO13
Mw 751.41429104
CAS RN 182693-36-3
C_ID C00028670 ,
InChIKey RCDFKDXMJYWZIU-SDWQQCRFNA-N
InChICode InChI=1S/C39H61NO13/c1-9-19(4)32(44)52-31-29(43)28-21(17-40-16-18(3)11-12-25(40)36(28,8)47)22-15-37-30(38(22,31)48)23(42)13-24-35(37,7)26(50-20(5)41)14-27(39(24,49)53-37)51-33(45)34(6,46)10-2/h18-19,21-31,42-43,46-49H,9-17H2,1-8H3/t18-,19-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30+,31-,34-,35+,36+,37+,38-,39-/m0/s1
SMILES CCC(C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@@](C)(O)CC)C[C@H](OC(C)=O)[C@@]3(C)[C@@H]5C[C@@H](O)[C@H]4[C@@]21O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum album Ref.
PlantaeMelanthiaceaeVeratrum album L. Ref.
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OrganismVeratrum album
ReferenceAtta-ur-Rahman,Phytochem.,43,(1996),907