input word = C00000130

Metabolite InformationStructural formula
Name 5-Hydroxyglucobrassicin
5-Hydroxy-3-indolylmethylglucosinolate
Formula C16H20N2O10S2
Mw 464.05593634
CAS RN 87592-99-2
C_ID C00000130 ,
InChIKey SNGNIBNFTIUEHD-BDBHUYAFNA-N
InChICode InChI=1S/C16H20N2O10S2/c19-6-11-13(21)14(22)15(23)16(27-11)29-12(18-28-30(24,25)26)3-7-5-17-10-2-1-8(20)4-9(7)10/h1-2,4-5,11,13-17,19-23H,3,6H2,(H,24,25,26)/b18-12-/t11-,13-,14+,15-,16+/m1/s1
SMILES c1(ccc2c(c1)c(c[nH]2)C/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea var. botrytis Ref.
PlantaeCruciferaeBrassica oleracea var. gongylodes Ref.
PlantaeCruciferaeIsatis tinctoria Linn Ref.
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