(Q105177107)

English

[(E)-[(3S)-3-[(E)-benzoyloxy]-1-{[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

{[3-(benzoyloxy)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino}oxysulfonic acid

1 reference

based on heuristic

inferred from SMILES

493.071252556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₃NO₁₁S₂

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canonical SMILES

O=C(OC(C=C)CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)C=2C=CC=CC2

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isomeric SMILES

C=C[C@H](C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)c1ccccc1

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Arabidopsis thaliana

1 reference

Gene duplication in the diversification of secondary metabolism: tandem 2-oxoglutarate-dependent dioxygenases control glucosinolate biosynthesis in Arabidopsis

Identifiers

InChI=1S/C18H23NO11S2/c1-2-11(28-17(24)10-6-4-3-5-7-10)8-13(19-30-32(25,26)27)31-18-16(23)15(22)14(21)12(9-20)29-18/h2-7,11-12,14-16,18,20-23H,1,8-9H2,(H,25,26,27)/b19-13+/t11-,12+,14-,15-,16-,18-/m1/s1

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NCAVLZAQUKCVIQ-NYYYNDJQSA-N

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