input word = C00001468

Metabolite InformationStructural formula
Name Glucocochlearin
1-Methylpropyl glucosinolate
Glucojiabutin
sec-Butyl glucosinolate
Formula C11H21NO9S2
Mw 375.06577274
CAS RN 499-24-1
C_ID C00001468 ,
InChIKey TUSWQPFNQXCPGB-TWDSYGPXNA-N
InChICode InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-10-/t5-,6-,7+,8-,9-,11-/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/[C@@H](CC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeAubrietia deltoidea Ref.
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeBoechera holboellii Ref.
PlantaeBrassicaceaeErophila verna Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeCakile arabica Ref.
PlantaeCruciferaeCakile constricta Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile geniculata Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeCardamine flexuosa Ref.
PlantaeCruciferaeCardamine hirsuta Ref.
PlantaeCruciferaeCardamine pratensis Ref.
PlantaeCruciferaeChristolea crassifolia Ref.
PlantaeCruciferaeCochlearia anglica Ref.
PlantaeCruciferaeCochlearia danica Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDescurainia sophia Ref.
PlantaeCruciferaeDiplotaxis viminea Ref.
PlantaeCruciferaeDiplotaxis virgata Ref.
PlantaeCruciferaeDraba nemorosa Ref.
PlantaeCruciferaeDraba spectabilis Ref.
PlantaeCruciferaeEruca sativa Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum aureum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium montanum Ref.
PlantaeCruciferaeLunaria annua Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSisymbrium altissimum Ref.
PlantaeCruciferaeSisymbrium erysimoides Ref.
PlantaeCruciferaeSisymbrium irio Ref.
PlantaeCruciferaeSisymbrium officinale Ref.
PlantaeCruciferaeSisymbrium strictissimum Ref.
PlantaeCruciferaeThelypodium ambiguum Ref.
PlantaeCruciferaeThelypodium brachycarpum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium milleflorum Ref.
PlantaeCruciferaeThelypodium paniculatum Ref.
PlantaeCruciferaeThelypodium rollinsii Ref.
PlantaeCruciferaeThelypodium stenopetalum Ref.
PlantaeCruciferaeThysanocarpus montanum Ref.
PlantaeGyrostemonaceaeCodonocarpus cotinifolius Ref.
PlantaeGyrostemonaceaeTersonia brevipes Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
PlantaeTropaeolaceaeTropaeolum boliviense Ref.
PlantaeTropaeolaceaeTropaeolum cochabambae Ref.
PlantaeTropaeolaceaeTropaeolum longiflorum Ref.
PlantaeTropaeolaceaeTropaeolum peregrinum Ref.
PlantaeTropaeolaceaeTropaeolum seemannii Ref.
PlantaeTropaeolaceaeTropaeolum tuberosum Ref.
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OrganismErysimum asperum
ReferenceDaxenbichler,Phytochem.,30,(1991),2623