input word = C00000125

Metabolite InformationStructural formula
Name Glucobrassicin
Glucobrassicine
3-Indolylmethylglucosinolate
Formula C16H20N2O9S2
Mw 448.06102171
CAS RN 4356-52-9
C_ID C00000125 ,
InChIKey DNDNWOWHUWNBCK-BDBHUYAFNA-N
InChICode InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11-,13+,14+,15-,16+/m1/s1
SMILES c1ccc2c(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
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeBataceaeBatis maritima Ref.
PlantaeCapparaceaeCapparis ovata Ref.
PlantaeCapparaceaeCapparis spinosa Ref.
PlantaeCapparaceaeCleome anomala Ref.
PlantaeCapparaceaeCleome graveolens Ref.
PlantaeCapparaceaeCleome monophylla Ref.
PlantaeCapparaceaeCleome trachysperma Ref.
PlantaeCleomaceaeGynandropsis adenocarpa Ref.
PlantaeCleomaceaeGynandropsis grandiflora Ref.
PlantaeCleomaceaeGynandropsis gynandra Ref.
PlantaeCleomaceaeGynandropsis macrophylla Ref.
PlantaeCleomaceaeGynandropsis pentaphylla Ref.
PlantaeCleomaceaeGynandropsis speciosa Ref.
PlantaeCleomaceaeGynandropsis trichopus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBarbarea vulgaris Ref.
PlantaeCruciferaeBrassica campestris ssp. rapifera Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica oleracea L. var. botrytis subvar. Cauliflora DC Ref.
PlantaeCruciferaeBrassica oleracea var. botrytis Ref.
PlantaeCruciferaeBrassica oleracea var. capitata Ref.
PlantaeCruciferaeBrassica oleracea var. gemmifera Ref.
PlantaeCruciferaeBrassica oleracea var. gongylodes Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeConringia orientalis Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeIsatis djurdjura Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaeCruciferaeLepidium graminifolium Ref.
PlantaeCruciferaeLepidium montanum Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeRaphanus spp. Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeResedaceaeReseda alba Ref.
PlantaeResedaceaeReseda complicata Ref.
PlantaeResedaceaeReseda crystallina Ref.
PlantaeResedaceaeReseda lutea Ref.
PlantaeResedaceaeReseda luteola Ref.
PlantaeResedaceaeReseda media Ref.
PlantaeResedaceaeReseda odorata Ref.
PlantaeTovariaceaeTovaria pendula Ref.
--Brassica Ref.
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OrganismCapparis ovata
ReferenceAhmed,Phytochem.,11,(1972),251