input word = C00001488

Metabolite InformationStructural formula
Name Sinigrin
2-Phenylethyl glucosinolate
Allyl glucosinolate
Formula C10H17NO9S2
Mw 359.03447261
CAS RN 3952-98-5
C_ID C00001488 ,
InChIKey PHZOWSSBXJXFOR-VNZKQILNNA-N
InChICode InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8-,9+,10+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CC=C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeHirschfeldia incana Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCapparaceaeCapparis ovata Ref.
PlantaeCapparaceaeCapparis spinosa Ref.
PlantaeCruciferaeAlliaria petiolata Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis kennedyae Ref.
PlantaeCruciferaeArabis laevigata Ref.
PlantaeCruciferaeArabis petiolaris Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBarbarea intermedia Ref.
PlantaeCruciferaeBarbarea stricta Ref.
PlantaeCruciferaeBarbarea vulgaris Ref.
PlantaeCruciferaeBrassica hirta Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica nigra Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica oleracea var. capitata Ref.
PlantaeCruciferaeBrassica oleraceae Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeCakile arabica Ref.
PlantaeCruciferaeCakile artica Ref.
PlantaeCruciferaeCakile constricta Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile geniculata Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeChorispora tenella Ref.
PlantaeCruciferaeCoincya longirostra Ref.
PlantaeCruciferaeConringia planisiliqua Ref.
PlantaeCruciferaeCrambe maritima Ref.
PlantaeCruciferaeCrucihimalaya wallichii Ref.
PlantaeCruciferaeDescurainia appendiculata Ref.
PlantaeCruciferaeDescurainia pinnata Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDescurainia sophia Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeDiplotaxis muralis Ref.
PlantaeCruciferaeDiplotaxis viminea Ref.
PlantaeCruciferaeDithyrea californica Ref.
PlantaeCruciferaeDithyrea wislizenii Ref.
PlantaeCruciferaeDraba nemorosa Ref.
PlantaeCruciferaeErucastrum gallicum Ref.
PlantaeCruciferaeErucastrum laevigatum Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum capitatum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum odoratum Ref.
PlantaeCruciferaeFarsetia aegyptia Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeIberis umbellata Ref.
PlantaeCruciferaeIsatis indigotica Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeLesquerella ludoviciana Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaePeltaria alliaceae Ref.
PlantaeCruciferaePringlea antiscorbutica Ref.
PlantaeCruciferaeRaphanus raphanistrum Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeRorippa hilariana Ref.
PlantaeCruciferaeSchouwia purpurea Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeCruciferaeSisymbrium alliaria Ref.
PlantaeCruciferaeSisymbrium loesilii Ref.
PlantaeCruciferaeSisymbrium officinale Ref.
PlantaeCruciferaeSisymbrium sophia Ref.
PlantaeCruciferaeThelypodium ambiguum Ref.
PlantaeCruciferaeThelypodium brachycarpum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium paniculatum Ref.
PlantaeCruciferaeThelypodium rollinsii Ref.
PlantaeCruciferaeThlaspi arvense Ref.
PlantaeCruciferaeTurritis glabra Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaePatrinia villosa Ref.
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OrganismIberis umbellata
ReferenceDaxenbichler,Phytochem.,30,(1991),2623