input word = C00007847

Metabolite InformationStructural formula
Name 8-Methylthio-3-oxooctyl glucosinolate
Formula C16H29NO10S3
Mw 491.09535835
CAS RN
C_ID C00007847 ,
InChIKey LJPQPXJKSAKMAM-NSLPWGAENA-N
InChICode InChI=1S/C16H29NO10S3/c1-28-8-4-2-3-5-10(19)6-7-12(17-27-30(23,24)25)29-16-15(22)14(21)13(20)11(9-18)26-16/h11,13-16,18,20-22H,2-9H2,1H3,(H,23,24,25)/b17-12+/t11-,13+,14-,15-,16-/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N/OS(=O)(=O)O)/CCC(=O)CCCCCSC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis hirsuta Ref.
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