input word = C00054826

Metabolite InformationStructural formula
Name DIBOA-Glc
Formula C14H17NO9
Mw 343.09033115
CAS RN 155835-54-4
C_ID C00054826
InChIKey OUSLYTBGQGKTME-TWTZXXGESA-N
InChICode InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
SMILES ON(C1=CC=CC=C1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus mollis Ref.
PlantaePoaceaeSecale cereale Ref.
PlantaePoaceaeZea mays Ref.
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