input word = C00048487

Metabolite InformationStructural formula
Name Neoascorbigen
Formula C16H17NO7
Mw 335.10050191
CAS RN 331754-99-5
C_ID C00048487 ,
InChIKey RZRVFWGHJJZBJQ-FFQMJFCGNA-N
InChICode InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1
SMILES COn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica spp. Ref.
PlantaeCruciferaeThellungiella halophila Ref.
zoom in



OrganismThellungiella halophila
ReferencePedras,Phytochem.,70,(2009),2010