desulfoglucotropeolin (Q27098294)

1-S-[(1E)-N-Hydroxy-2-phenylethanimidoyl]-1-thio-beta-D-glucopyranose (English)

4 October 2016

chemical formula

C₁₄H₁₉NO₆S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)CC(=NO)SC2(C(C(C(C(CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

desulfoglucotropeolin (English)

4 October 2016

isomeric SMILES

C1=CC=C(C=C1)CC(=NO)S[C@]2([C@@]([C@]([C@@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

desulfoglucotropeolin (English)

InChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/t9-,11-,12+,13-,14+/m1/s1

4 October 2016

Identifiers

InChI

1 reference

desulfoglucotropeolin (English)

QXWFHEDNDCNERW-LPUQOGTASA-N

4 October 2016

InChIKey

2 references

desulfoglucotropeolin (English)

CAS (formerly Chemical Abstracts Service)

4 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5115-74-2

1 reference

stated in

25 January 2022

1 reference

1-S-[(1E)-N-Hydroxy-2-phenylethanimidoyl]-1-thio-beta-D-glucopyranose (English)

matched by identifier from

4 October 2016

PubChem CID

656492

1 reference

InChIKey

QXWFHEDNDCNERW-LPUQOGTASA-N

Reaxys registry number

39056

1 reference

desulfoglucotropeolin (English)

4 October 2016

ChEBI ID

15911

mapping relation type

3 references

desulfoglucotropeolin (English)