input word = C00000127

Metabolite InformationStructural formula
Name 4-Hydroxyglucobrassicin
4-hydroxyglucobrassicin
4-Hydroxy-3-indolylmethylglucosinolate
Formula C16H20N2O10S2
Mw 464.05593634
CAS RN 83327-20-2
C_ID C00000127 ,
InChIKey CSMYCLLHRFFFLG-HKSFWCCONA-N
InChICode InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/b18-11-/t10-,13-,14+,15-,16+/m1/s1
SMILES c1cc(c2c(c1)[nH]cc2C/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 Anthranilate
Organism
Kingdom Family Species Reference
PlantaeBataceaeBatis maritima Ref.
PlantaeCapparaceaeCapparis spinosa Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sp Ref.
PlantaeCruciferaeBrassica sp. Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeConringia orientalis Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeIsatis djurdjura Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSchouwia purpurea Ref.
PlantaeTovariaceaeTovaria pendula Ruiz.et Pav. Ref.
zoom in



OrganismBrassica napus
ReferenceMcGregor,Can. J. Plant Sci.,68,(1988),367

Shahide,J. Food Qual.,11,(1989),421