input word = C00027079

Metabolite InformationStructural formula
Name Alstovine
Formula C21H26N2O5
Mw 386.18417196
CAS RN 57576-38-2
C_ID C00027079 ,
InChIKey NFIFPWIZYHMYPQ-ULVNWPSWNA-N
InChICode InChI=1S/C21H26N2O5/c1-11(24)21(26)10-23-7-6-20-13-5-4-12(27-2)8-15(13)22-18(20)17(19(25)28-3)14(21)9-16(20)23/h4-5,8,11,14,16,22,24,26H,6-7,9-10H2,1-3H3/t11-,14+,16-,20+,21+/m0/s1
SMILES COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
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OrganismAlstonia angustifolia var.latifolia
ReferenceKam,Phytochem.,65,(2004),603