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@H]1(OC=C2[C@H]([C@@H]1C=C)C[C@H]1N(C2=O)CCc2c1c(c(cc2)OC)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
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.,58,(1995),1228

Itoh,Phytochem.,41,(1996),651