KNApSAcK Metabolite Information

input word = C00007350

Metabolite Information

Structural formula

Name

2-Phenylethylglucosinolate
Gluconasturtiin

Formula

C15H21NO9S2

423.06577274

CAS RN

499-30-9

C_ID

C00007350 ,

InChIKey

CKIJIGYDFNXSET-WJDWOHSUNA-N

InChICode

InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11-/t10-,12-,13-,14-,15+/m1/s1

SMILES

c1ccc(cc1)CC/C(=N/OS(=O)(=O)O)/S[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO

Start Substs in Alk. Biosynthesis (Prediction)

L-Asp L-Phe L-His

Organism

Kingdom	Family	Species	Reference
Plantae	Brassicaceae	Cardaria chalapensis	Ref.
Plantae	Brassicaceae	Hirschfeldia incana	Ref.
Plantae	Brassicaceae	Wasabi japonica	Ref.
Plantae	Cruciferae	Alyssum tortuosum	Ref.
Plantae	Cruciferae	Arabidopsis thaliana	Ref.
Plantae	Cruciferae	Arabis sparsiflora	Ref.
Plantae	Cruciferae	Armoracia lapathifolia	Ref.
Plantae	Cruciferae	Barbarea intermedia	Ref.
Plantae	Cruciferae	Barbarea orthoceras	Ref.
Plantae	Cruciferae	Barbarea stricta	Ref.
Plantae	Cruciferae	Barbarea verna	Ref.
Plantae	Cruciferae	Barbarea vulgaris	Ref.
Plantae	Cruciferae	Biscutella didyma	Ref.
Plantae	Cruciferae	Biscutella laevigata	Ref.
Plantae	Cruciferae	Brassica hirta	Ref.
Plantae	Cruciferae	Brassica juncea	Ref.
Plantae	Cruciferae	Brassica nigra	Ref.
Plantae	Cruciferae	Brassica oleracea	Ref.
Plantae	Cruciferae	Brassica rapa	Ref.
Plantae	Cruciferae	Cakile artica	Ref.
Plantae	Cruciferae	Cakile edentula	Ref.
Plantae	Cruciferae	Cakile lanceolata	Ref.
Plantae	Cruciferae	Capsella cordifolia	Ref.
Plantae	Cruciferae	Cardamine flexuosa	Ref.
Plantae	Cruciferae	Cardamine hirsuta	Ref.
Plantae	Cruciferae	Diplotaxis erucoides	Ref.
Plantae	Cruciferae	Diplotaxis virgata	Ref.
Plantae	Cruciferae	Erucastrum laevigatum	Ref.
Plantae	Cruciferae	Farsetia clypeata	Ref.
Plantae	Cruciferae	Hesperis matronalis	Ref.
Plantae	Cruciferae	Leavenworthia alabamica	Ref.
Plantae	Cruciferae	Leavenworthia torulosa	Ref.
Plantae	Cruciferae	Lepidium sativum	Ref.
Plantae	Cruciferae	Lobularia maritima	Ref.
Plantae	Cruciferae	Matthiola fruticulosa	Ref.
Plantae	Cruciferae	Matthiola parviflora	Ref.
Plantae	Cruciferae	Moricandia arvensis	Ref.
Plantae	Cruciferae	Nasturtium officinale	Ref.
Plantae	Cruciferae	Raphanus sativus	Ref.
Plantae	Cruciferae	Rapistrum rugosum	Ref.
Plantae	Cruciferae	Rorippa indica	Ref.
Plantae	Cruciferae	Rorippa nasturtium-aquaticum	Ref.
Plantae	Cruciferae	Selenia aurea	Ref.
Plantae	Cruciferae	Selenia grandis	Ref.
Plantae	Cruciferae	Sibara virginica	Ref.
Plantae	Cruciferae	Sinapis alba	Ref.
Plantae	Cruciferae	Sinapis arvensis	Ref.
Plantae	Cruciferae	Sisymbrium altissimum	Ref.
Plantae	Cruciferae	Sisymbrium orientale	Ref.
Plantae	Cruciferae	Teesdalia nudicaulis	Ref.
Plantae	Cruciferae	Thelypodium laciniatum	Ref.
Plantae	Cruciferae	Thelypodium laxiflorum	Ref.
Plantae	Cruciferae	Thelypodium milleflorum	Ref.
Plantae	Cruciferae	Thelypodium stenopetalum	Ref.
Plantae	Cruciferae	Thysanocarpus radians	Ref.
Plantae	Resedaceae	Reseda alba	Ref.
Plantae	Resedaceae	Reseda luteola	Ref.
Plantae	Resedaceae	Reseda media	Ref.
Plantae	Resedaceae	Reseda stricta	Ref.
Plantae	Resedaceae	Sesamoides canescens	Ref.
Plantae	Resedaceae	Sesamoides pygmaea	Ref.

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