input word = C00001487

Metabolite InformationStructural formula
Name Sinalbin
Formula C14H19NO10S2
Mw 425.0450373
CAS RN 20196-67-2
C_ID C00001487 ,
InChIKey WWBNBPSEKLOHJU-QOGWPGSMNA-N
InChICode InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13+,14+/m1/s1
SMILES S([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C(=N/OS(=O)(=O)O)/Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica hirta Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSinapis arvensis Ref.
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