(Q27116837)

English

propylglucosinolate

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

360.042298±0 dalton

1 reference

language of work or name

CHEBI:36446 (English)

6 October 2016

chemical formula

C₁₀H₁₈NO₉S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O

1 reference

language of work or name

CHEBI:36446 (English)

6 October 2016

isomeric SMILES

CCC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

language of work or name

CHEBI:36446 (English)

6 October 2016

Identifiers

InChI=1S/C10H19NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1

1 reference

language of work or name

CHEBI:36446 (English)

6 October 2016

WFJBUHOMGSOMHL-GLVDENFASA-M

2 references

language of work or name

CHEBI:36446 (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

CHEBI:36446 (English)

6 October 2016

Reaxys registry number

8799967

1 reference

language of work or name

propylglucosinolate (English)

6 October 2016

mapping relation type

1 reference

language of work or name

propylglucosinolate (English)

6 October 2016

UniChem compound ID

1 reference

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