input word = C00001795

Metabolite InformationStructural formula
Name Alangicine
Formula C28H36N2O5
Mw 480.26242227
CAS RN 16531-04-7
C_ID C00001795 ,
InChIKey RVJBPTBCDSPZDC-UMKYDYSHNA-N
InChICode InChI=1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,31-32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1
SMILES c1(c(cc2c(c1O)CCN1[C@H]2C[C@@H]([C@H](C1)CC)CC1=NCCc2c1cc(c(c2)O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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