input word = C00061387

Metabolite InformationStructural formula
Name 2-Hydroxy-3-butenyl glucosinolate
Formula C11H19NO10S2
Mw 389.0450373
CAS RN 31362-92-2
C_ID C00061387
InChIKey SUOGAQCWLKMPJW-ULODSMNMSA-N
InChICode InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+/t5?,6-,8-,9+,10-,11+/m1/s1
SMILES C=CC(O)CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
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