KNApSAcK Metabolite Information

input word = C00001488

Metabolite Information

Structural formula

Name

Sinigrin
2-Phenylethyl glucosinolate
Allyl glucosinolate

Formula

C10H17NO9S2

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

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

Start Substs in Alk. Biosynthesis (Prediction)

L-Arg L-Ala

Organism

Kingdom	Family	Species	Reference
Plantae	Brassicaceae	Hirschfeldia incana	Ref.
Plantae	Brassicaceae	Wasabi japonica	Ref.
Plantae	Capparaceae	Capparis ovata	Ref.
Plantae	Capparaceae	Capparis spinosa	Ref.
Plantae	Caprifoliaceae	Patrinia sp.	Ref.
Plantae	Cruciferae	Alliaria petiolata	Ref.
Plantae	Cruciferae	Arabidopsis thaliana	Ref.
Plantae	Cruciferae	Arabis kennedyae	Ref.
Plantae	Cruciferae	Arabis laevigata	Ref.
Plantae	Cruciferae	Arabis petiolaris	Ref.
Plantae	Cruciferae	Armoracia lapathifolia	Ref.
Plantae	Cruciferae	Barbarea intermedia	Ref.
Plantae	Cruciferae	Barbarea stricta	Ref.
Plantae	Cruciferae	Barbarea vulgaris	Ref.
Plantae	Cruciferae	Brassica hirta	Ref.
Plantae	Cruciferae	Brassica juncea	Ref.
Plantae	Cruciferae	Brassica nigra	Ref.
Plantae	Cruciferae	Brassica oleracea	Ref.
Plantae	Cruciferae	Brassica oleraceae	Ref.
Plantae	Cruciferae	Brassica oleracea var. capitata	Ref.
Plantae	Cruciferae	Brassica rapa	Ref.
Plantae	Cruciferae	Brassica sprouts	Ref.
Plantae	Cruciferae	Cakile arabica	Ref.
Plantae	Cruciferae	Cakile artica	Ref.
Plantae	Cruciferae	Cakile constricta	Ref.
Plantae	Cruciferae	Cakile edentula	Ref.
Plantae	Cruciferae	Cakile geniculata	Ref.
Plantae	Cruciferae	Cakile lanceolata	Ref.
Plantae	Cruciferae	Cakile maritima	Ref.
Plantae	Cruciferae	Capsella bursa-pastoris	Ref.
Plantae	Cruciferae	Chorispora tenella	Ref.
Plantae	Cruciferae	Coincya longirostra	Ref.
Plantae	Cruciferae	Conringia planisiliqua	Ref.
Plantae	Cruciferae	Crambe maritima	Ref.
Plantae	Cruciferae	Crucihimalaya wallichii	Ref.
Plantae	Cruciferae	Descurainia appendiculata	Ref.
Plantae	Cruciferae	Descurainia pinnata	Ref.
Plantae	Cruciferae	Descurainia richardsonii	Ref.
Plantae	Cruciferae	Descurainia sophia	Ref.
Plantae	Cruciferae	Diplotaxis erucoides	Ref.
Plantae	Cruciferae	Diplotaxis muralis	Ref.
Plantae	Cruciferae	Diplotaxis viminea	Ref.
Plantae	Cruciferae	Dithyrea californica	Ref.
Plantae	Cruciferae	Dithyrea wislizenii	Ref.
Plantae	Cruciferae	Draba nemorosa	Ref.
Plantae	Cruciferae	Erucastrum gallicum	Ref.
Plantae	Cruciferae	Erucastrum laevigatum	Ref.
Plantae	Cruciferae	Erysimum asperum	Ref.
Plantae	Cruciferae	Erysimum capitatum	Ref.
Plantae	Cruciferae	Erysimum hieracifolium	Ref.
Plantae	Cruciferae	Erysimum odoratum	Ref.
Plantae	Cruciferae	Farsetia aegyptia	Ref.
Plantae	Cruciferae	Farsetia clypeata	Ref.
Plantae	Cruciferae	Iberis umbellata	Ref.
Plantae	Cruciferae	Isatis indigotica	Ref.
Plantae	Cruciferae	Lepidium draba	Ref.
Plantae	Cruciferae	Lepidium sativum	Ref.
Plantae	Cruciferae	Lesquerella ludoviciana	Ref.
Plantae	Cruciferae	Moricandia arvensis	Ref.
Plantae	Cruciferae	Nasturtium officinale	Ref.
Plantae	Cruciferae	Peltaria alliaceae	Ref.
Plantae	Cruciferae	Pringlea antiscorbutica	Ref.
Plantae	Cruciferae	Raphanus raphanistrum	Ref.
Plantae	Cruciferae	Raphanus sativus	Ref.
Plantae	Cruciferae	Rorippa hilariana	Ref.
Plantae	Cruciferae	Schouwia purpurea	Ref.
Plantae	Cruciferae	Sinapis arvensis	Ref.
Plantae	Cruciferae	Sisymbrium alliaria	Ref.
Plantae	Cruciferae	Sisymbrium loesilii	Ref.
Plantae	Cruciferae	Sisymbrium officinale	Ref.
Plantae	Cruciferae	Sisymbrium sophia	Ref.
Plantae	Cruciferae	Thelypodium ambiguum	Ref.
Plantae	Cruciferae	Thelypodium brachycarpum	Ref.
Plantae	Cruciferae	Thelypodium crispum	Ref.
Plantae	Cruciferae	Thelypodium eucosmum	Ref.
Plantae	Cruciferae	Thelypodium laciniatum	Ref.
Plantae	Cruciferae	Thelypodium laxiflorum	Ref.
Plantae	Cruciferae	Thelypodium paniculatum	Ref.
Plantae	Cruciferae	Thelypodium rollinsii	Ref.
Plantae	Cruciferae	Thlaspi arvense	Ref.
Plantae	Cruciferae	Turritis glabra	Ref.

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Organism

Isatis indigotica

Reference

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)