input word = C00027567

Metabolite InformationStructural formula
Name Neoalangiside
Formula C25H31NO10
Mw 505.19479622
CAS RN 169391-62-2
C_ID C00027567 ,
InChIKey CAPTWSBFXVCIAY-ADFNIDHVNA-N
InChICode InChI=1S/C25H31NO10/c1-3-12-13-8-15-18-11(4-5-16(33-2)19(18)28)6-7-26(15)23(32)14(13)10-34-24(12)36-25-22(31)21(30)20(29)17(9-27)35-25/h3-5,10,12-13,15,17,20-22,24-25,27-31H,1,6-9H2,2H3/t12-,13-,15+,17+,20+,21-,22+,24-,25-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4ccc(OC)c(O)c4[C@H]3C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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