Glucosisymbrin (Q27154965)

1-Methyl-2-hydroxyetyl glucosinolate (English)

9 October 2016

chemical formula

C₁₀H₁₉NO₁₀S₂

1 reference

1-Methyl-2-hydroxyetyl glucosinolate (English)

9 October 2016

canonical SMILES

CC(CO)C(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

1 reference

1-Methyl-2-hydroxyetyl glucosinolate (English)

9 October 2016

isomeric SMILES

CC(CO)C(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

1-Methyl-2-hydroxyetyl glucosinolate (English)

InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

1-Methyl-2-hydroxyetyl glucosinolate (English)

WMJAKSMGNADDKY-QTCACZPWSA-N

9 October 2016

InChIKey

2 references

1-Methyl-2-hydroxyetyl glucosinolate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-S-[3-Hydroxy-2-methyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose (English)

9 October 2016

2 references

1-Methyl-2-hydroxyetyl glucosinolate (English)

matched by identifier from

9 October 2016

InChIKey

WMJAKSMGNADDKY-QTCACZPWSA-N

ChEBI ID

81002

mapping relation type

2 references

Glucosisymbrin (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1

1 reference

1 reference

Glucosisymbrin (English)