bracteatin 6-O-beta-glucoside (Q27135503)

(2Z)-4-Hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside (English)

(2Z)-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₂

0 references

canonical SMILES

C1=C(C=C(C(=C1O)O)O)C=C2C(C3=C(C=C(C=C3O2)OC4(C(C(C(C(CO)(O4)[H])(O)[H])(O)[H])(O)[H])[H])O)=O

1 reference

bracteatin 6-O-beta-glucoside (English)

7 October 2016

isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C=C2C(C3=C(C=C(C=C3O2)O[C@]4([C@@]([C@]([C@@]([C@@](CO)(O4)[H])(O)[H])(O)[H])(O)[H])[H])O)=O

1 reference

bracteatin 6-O-beta-glucoside (English)

InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/t14-,18-,19 ,20-,21-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

bracteatin 6-O-beta-glucoside (English)

SFXSFWVZPKEDPA-LNCSSOGTSA-N

7 October 2016

InChIKey

2 references

bracteatin 6-O-beta-glucoside (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

(2Z)-4-Hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside (English)

7 October 2016

2 references

26 December 2021

InChIKey

SFXSFWVZPKEDPA-LNCSSOGTSA-N

ChEBI ID

66907

mapping relation type

2 references

bracteatin 6-O-beta-glucoside (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/t14-,18-,19 ,20-,21-/m1/s1

1 reference

1 reference

bracteatin 6-O-beta-glucoside (English)

7 October 2016

1 reference

bracteatin 6-O-beta-glucoside (English)