gluconasturtiin (Q412097)

Phenethylglucosinolate (English)

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate

21 September 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-phenyl-N-sulfooxypropanimidothioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁NO₉S₂

1 reference

Phenethylglucosinolate (English)

21 September 2016

canonical SMILES

C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O

1 reference

Phenethylglucosinolate (English)

21 September 2016

isomeric SMILES

C1=CC=C(C=C1)CC/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

Deciphering metabolomic alterations in seminal plasma of crossbred ( Bos taurus X Bos indicus ) bulls through comparative deep metabolomic analysis

Phenethylglucosinolate (English)

21 September 2016

1 reference

Arabidopsis thaliana

1 reference

The Lipopolysaccharide-Induced Metabolome Signature in Arabidopsis thaliana Reveals Dynamic Reprogramming of Phytoalexin and Phytoanticipin Pathways

Eruca sativa

1 reference

Naturally occurring glucosinolates in plant extracts of rocket salad (Eruca sativa L.) identified by liquid chromatography coupled with negative ion electrospray ionization and quadrupole ion-trap mass spectrometry

Identifiers

InChI

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

1 reference

Phenethylglucosinolate (English)

21 September 2016

CKIJIGYDFNXSET-MFIRQCQASA-N

1 reference

Phenethylglucosinolate (English)

CKIJIGYDFNXSET-OOMJLXHVSA-N

21 September 2016

1 reference

imported from Wikimedia project

ChEBI release 2020-09-01

CAS Registry Number

499-30-9

1 reference

1 reference

Gluconasturtiin (English)

21 September 2016

2 references

Phenethylglucosinolate (English)

matched by identifier from

21 September 2016

CKIJIGYDFNXSET-MFIRQCQASA-N

5464032

1 reference

matched by identifier from

CKIJIGYDFNXSET-OOMJLXHVSA-N

ChEBI ID

79347

mapping relation type

exact match

1 reference

matched by identifier from

ChEBI release 2021-03-01

SureChEMBL ID

SCHEMBL887122

2 references

based on heuristic

inferred from InChIKey