input word = C00036582

Metabolite InformationStructural formula
Name 4-Mercaptobutyl glucosinolate
Formula C11H21NO9S3
Mw 407.03784347
CAS RN 486454-09-5
C_ID C00036582 ,
InChIKey KQCBSBJKABPMAT-DXSTXSQHNA-N
InChICode InChI=1S/C11H21NO9S3/c13-5-6-8(14)9(15)10(16)11(20-6)23-7(3-1-2-4-22)12-21-24(17,18)19/h6,8-11,13-16,22H,1-5H2,(H,17,18,19)/b12-7+/t6-,8+,9+,10-,11+/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H](O[C@H]1S/C(=N/OS(=O)(=O)O)/CCCCS)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeEruca sativa L. Ref.
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OrganismEruca sativa L.
ReferenceBennett,Phytochem.,61,(2002),25