input word = C00028972

Metabolite InformationStructural formula
Name Sativanine H
Formula C29H43N5O6
Mw 557.32133414
CAS RN 107603-59-8
C_ID C00028972 ,
InChIKey URPCMBHACJYYHP-ZRDIBKRKNA-N
InChICode InChI=1S/C29H43N5O6/c1-18(2)14-22-27(36)30-12-10-19-15-21(8-9-24(19)39-7)40-25-11-13-34(26(25)28(37)31-22)29(38)23(33(5)6)16-20(35)17-32(3)4/h8-10,12,15,18,22-23,25-26H,11,13-14,16-17H2,1-7H3,(H,30,36)(H,31,37)/b12-10-/t22-,23+,25-,26+/m0/s1
SMILES C1(=O)[C@H]2[C@@H](Oc3cc(/C=C\NC(=O)[C@@H](N1)CC(C)C)c(cc3)OC)CCN2C(=O)[C@H](N(C)C)CC(=O)CN(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus sativa Ref.
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