(Q27120798)

English

xi-progoitrin(1-)

chemical compound

2-hydroxy-3-butenyl glucosinolate

In more languages

Statements

group of stereoisomers

0 references

chemical compound

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388.03776135590994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₁H₁₈NO₁₀S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=CC(O)CC(=NOS(=O)(=O)[O-])SC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/t5?,6-,8-,9+,10-,11+/m1/s1

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MYHSVHWQEVDFQT-RNFCHCRPSA-M

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ChEBI release 2020-09-01

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Reaxys registry number

6773020

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mapping relation type

1 reference

language of work or name

xi-progoitrin(1-) (English)

6 October 2016

UniChem compound ID

1 reference

Sitelinks

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