(Q76309502)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

1 reference

based on heuristic

inferred from SMILES

mass

464.05593684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(Z)-[2-(4-hydroxy-1H-indol-3-yl)-1-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

4-hydroxyglucobrassicin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₀N₂O₁₀S₂

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canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CNC=3C=CC=C(O)C32

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isomeric SMILES

C1=CC2=C(C(=C1)O)C(=CN2)C/C(=N\OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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found in taxon

Brassica juncea

1 reference

stated in

Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate

rapeseed

1 reference

stated in

Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate

Brassica oleracea

1 reference

stated in

Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate

Brassica rapa

1 reference

stated in

Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate

Identifiers

InChI

InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/b18-11+/t10-,13-,14+,15-,16+/m1/s1

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InChIKey

CSMYCLLHRFFFLG-ABVFHMHLSA-N

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

CSMYCLLHRFFFLG-ABVFHMHLSA-N

1 reference

(Q76309502)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

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Identifiers

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