input word = C00027397

Metabolite InformationStructural formula
Name Isotubulosine
Formula C29H37N3O3
Mw 475.28349207
CAS RN 5610-39-9
C_ID C00027397 ,
InChIKey JRVWIILYWSBUMC-NWJZQPINNA-N
InChICode InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25-,26-/m0/s1
SMILES c12c(cc(cc1)O)c1c([nH]2)[C@@H](NCC1)C[C@@H]1[C@H](CN2[C@@H](C1)c1c(CC2)cc(c(c1)OC)OC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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OrganismAlangium lamarckii
ReferenceItoh,J.Nat.Prod.,63,(2000),723