input word = C00007346

Metabolite InformationStructural formula
Name Benzylglucosinolate
Glucotropaeolin
Tropaeolin
glucotropaeolin
Formula C14H19NO9S2
Mw 409.05012267
CAS RN 499-26-3
C_ID C00007346 ,
InChIKey QQGLQYQXUKHWPX-GDNBJRDFNA-N
InChICode InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m0/s1
SMILES C(/C(=N/OS(=O)(=O)O)/S[C@@H]1[C@H]([C@@H]([C@@H](O)[C@@H](O1)CO)O)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeCoronopus didymus Ref.
PlantaeBrassicaceaeErophila verna Ref.
PlantaeBrassicaceaeReboudia pinnata Ref.
PlantaeCapparaceaeCapparis flexuosa Ref.
PlantaeCaricaceaeCarica cauliflora Ref.
PlantaeCaricaceaeCarica chilensis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCaricaceaeCarica pennata Ref.
PlantaeCaricaceaeJarilla chocola Ref.
PlantaeCaricaceaeVasconcellea quercifolia Ref.
PlantaeCruciferaeAlliaria petiolata Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBiscutella didyma Ref.
PlantaeCruciferaeBrassica oleracea var. gongylodes Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeCardamine flexuosa Ref.
PlantaeCruciferaeCardamine hirsuta Ref.
PlantaeCruciferaeCardamine impatiens Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeDiplotaxis virgata Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeLepidium apetalum Ref.
PlantaeCruciferaeLepidium austrinum Ref.
PlantaeCruciferaeLepidium densiflorum Ref.
PlantaeCruciferaeLepidium graminifolium Ref.
PlantaeCruciferaeLepidium hyssopifolium Ref.
PlantaeCruciferaeLepidium lasiocarpum Ref.
PlantaeCruciferaeLepidium meyenii Ref.
PlantaeCruciferaeLepidium montanum Ref.
PlantaeCruciferaeLepidium perfoliatum Ref.
PlantaeCruciferaeLepidium pinnatifidum Ref.
PlantaeCruciferaeLepidium ruderale Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeLepidium subulatum Ref.
PlantaeCruciferaeLepidium thurberi Ref.
PlantaeCruciferaeLepidium vesicarium Ref.
PlantaeCruciferaeLepidium virginicum Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaePringlea antiscorbutica Ref.
PlantaeCruciferaeSelenia aurea Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSisymbrium orientale Ref.
PlantaeCruciferaeThelypodium brachycarpum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium milleflorum Ref.
PlantaeCruciferaeThelypodium rollinsii Ref.
PlantaeCruciferaeThelypodium stenopetalum Ref.
PlantaeCruciferaeThelypodium wrightii Ref.
PlantaeCruciferaeThlaspi arvense Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
PlantaePhytolaccaceaePhytolacca dioica Ref.
PlantaeResedaceaeReseda lutea Ref.
PlantaeResedaceaeReseda media Ref.
PlantaeSalvadoraceaeSalvadora persica Ref.
PlantaeTovariaceaeTovaria pendula Ref.
PlantaeTropaeolaceaeTropaeolum boliviense Ref.
PlantaeTropaeolaceaeTropaeolum cochabambae Ref.
PlantaeTropaeolaceaeTropaeolum hjertingii Ref.
PlantaeTropaeolaceaeTropaeolum longiflorum Ref.
PlantaeTropaeolaceaeTropaeolum majus Ref.
PlantaeTropaeolaceaeTropaeolum minus Ref.
PlantaeTropaeolaceaeTropaeolum peregrinum Ref.
PlantaeTropaeolaceaeTropaeolum seemannii Ref.
PlantaeTropaeolaceaeTropaeolum tuberosum Ref.
--Cycliomorpha solmsii Ref.
--Rhynchosinapis monensis Ref.
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OrganismThelypodium rollinsii
ReferenceAl-Shehbaz,Contribution,Gray Herbarium Harvard Univ.,204,(1973),3